
 MolPort-000-795-663

 42 42  0  0  0  0  0  0  0  0999 V2000
    1.5485    0.2551   -0.2074 C   0  0  0  0  0
    1.8513    1.0762   -1.4534 C   0  0  0  0  0
    0.8564    2.2146   -1.6427 C   0  0  0  0  0
    3.2419    1.5933   -1.4075 N   0  0  0  0  0
    3.9335    0.8290   -1.4197 H   0  0  0  0  0
    3.4479    2.0306   -2.3544 H   0  0  0  0  0
    3.6622    2.5545   -0.3441 C   0  0  0  0  0
    5.1529    2.8768   -0.5237 C   0  0  0  0  0
    5.6669    3.7820    0.6011 C   0  0  0  0  0
    5.3544    3.1978    1.8725 O   0  0  0  0  0
    6.3774    3.1785    2.7910 C   0  0  0  0  0
    7.6670    2.7640    2.4459 C   0  0  0  0  0
    8.6758    2.7401    3.4054 C   0  0  0  0  0
    8.3909    3.0962    4.7222 C   0  0  0  0  0
    7.0914    3.4612    5.1033 C   0  0  0  0  0
    6.8024    3.7789    6.4419 C   0  0  0  0  0
    5.5097    4.1223    6.8332 C   0  0  0  0  0
    4.4876    4.1611    5.8911 C   0  0  0  0  0
    4.7624    3.8570    4.5553 C   0  0  0  0  0
    6.0601    3.5005    4.1332 C   0  0  0  0  0
    5.8747    1.6326   -0.5612 O   0  0  0  0  0
    4.0551    2.5421   -4.1191 Cl  0  0  0  0  0
    2.2955   -0.5320   -0.0607 H   0  0  0  0  0
    0.5691   -0.2276   -0.3004 H   0  0  0  0  0
    1.5204    0.8745    0.6951 H   0  0  0  0  0
    1.8123    0.4171   -2.3281 H   0  0  0  0  0
    0.8410    2.8939   -0.7838 H   0  0  0  0  0
   -0.1577    1.8176   -1.7624 H   0  0  0  0  0
    1.0864    2.8025   -2.5366 H   0  0  0  0  0
    3.4832    2.0498    0.6085 H   0  0  0  0  0
    3.0461    3.4535   -0.4233 H   0  0  0  0  0
    5.3196    3.3854   -1.4777 H   0  0  0  0  0
    5.1472    4.7467    0.5564 H   0  0  0  0  0
    6.7331    3.9859    0.4583 H   0  0  0  0  0
    7.9016    2.4328    1.4394 H   0  0  0  0  0
    9.6808    2.4307    3.1317 H   0  0  0  0  0
    9.1922    3.0652    5.4578 H   0  0  0  0  0
    7.5874    3.7511    7.1946 H   0  0  0  0  0
    5.3009    4.3568    7.8740 H   0  0  0  0  0
    3.4782    4.4248    6.1933 H   0  0  0  0  0
    3.9459    3.8929    3.8374 H   0  0  0  0  0
    6.6662    1.7841   -1.1137 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  7  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 21  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 20  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 21 42  1  0  0  0
M  CHG  2   4   1  22  -1
M  END

>  <Chemical Name>
MolPort-000-795-663

>  <PubChem CID>
43834240

>  <Formula>
C16H22ClNO2

>  <Molecular Weight>
295.807000

>  <IUPAC Name>
(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium;chloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)[NH2+]CC(COC1=CC=CC2=CC=CC=C21)O.[Cl-]

>  <Isomeric SMILES>
CC(C)[NH2+]CC(COC1=CC=CC2=CC=CC=C21)O.[Cl-]

>  <InChI Std. ID>
InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H

>  <InChI Key>
ZMRUPTIKESYGQW-UHFFFAOYSA-N

