
 CID 44424806

 39 40  0  0  0  0  0  0  0  0999 V2000
   -1.5525    0.4147    1.2959 C   0  0  0  0  0
   -0.4663    0.7922    2.0797 C   0  0  0  0  0
    0.8365    0.5817    1.6236 C   0  0  0  0  0
    1.0715   -0.0066    0.3688 C   0  0  0  0  0
   -0.0383   -0.3974   -0.4013 C   0  0  0  0  0
   -1.3390   -0.1814    0.0567 C   0  0  0  0  0
    2.4780   -0.2517   -0.1882 C   0  0  0  0  0
    3.5271    0.8131    0.2076 C   0  0  0  0  0
    3.1001    2.1636   -0.2142 N   0  0  0  0  0
    3.2736    2.4243   -1.1857 H   0  0  0  0  0
    2.1423    2.4172    0.0569 H   0  0  0  0  0
    3.6430    2.8841    0.3507 H   0  0  0  0  0
    3.0028   -1.6578    0.1308 C   0  0  0  0  0
    3.1410   -2.0164    1.4900 C   0  0  0  0  0
    3.6176   -3.2662    1.8658 C   0  0  0  0  0
    3.9704   -4.1831    0.8863 C   0  0  0  0  0
    3.8612   -3.8771   -0.4831 C   0  0  0  0  0
    4.2321   -4.8242   -1.4607 C   0  0  0  0  0
    4.1378   -4.5476   -2.8209 C   0  0  0  0  0
    3.6671   -3.3123   -3.2306 C   0  0  0  0  0
    3.2913   -2.3577   -2.2800 C   0  0  0  0  0
    3.3727   -2.6009   -0.8833 C   0  0  0  0  0
    4.4381   -5.4158    1.2665 O   0  0  0  0  0
    4.0976    4.2433    1.4946 Cl  0  0  0  0  0
   -2.5657    0.5776    1.6561 H   0  0  0  0  0
   -0.6332    1.2476    3.0538 H   0  0  0  0  0
    1.6503    0.8849    2.2789 H   0  0  0  0  0
    0.0993   -0.8794   -1.3678 H   0  0  0  0  0
   -2.1875   -0.4857   -0.5505 H   0  0  0  0  0
    2.3677   -0.1339   -1.2702 H   0  0  0  0  0
    4.4915    0.6272   -0.2773 H   0  0  0  0  0
    3.6934    0.8534    1.2885 H   0  0  0  0  0
    2.8681   -1.3241    2.2843 H   0  0  0  0  0
    3.7039   -3.5050    2.9218 H   0  0  0  0  0
    4.6043   -5.8018   -1.1562 H   0  0  0  0  0
    4.4309   -5.2974   -3.5506 H   0  0  0  0  0
    3.5882   -3.0871   -4.2912 H   0  0  0  0  0
    2.9273   -1.4164   -2.6767 H   0  0  0  0  0
    4.4236   -5.4773    2.2354 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6 29  1  0  0  0
  7 13  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 12  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 13 14  2  0  0  0
 13 22  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 23  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
 20 21  1  0  0  0
 20 37  1  0  0  0
 21 22  2  0  0  0
 21 38  1  0  0  0
 23 39  1  0  0  0
M  CHG  2   9   1  24  -1
M  END

>  <Chemical Name>
CID 44424806

>  <PubChem CID>
44424806

>  <Formula>
C18H18ClNO

>  <Molecular Weight>
299.798000

>  <IUPAC Name>
[2-(4-hydroxynaphthalen-1-yl)-2-phenylethyl]azanium;chloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)C(C[NH3+])C2=CC=C(C3=CC=CC=C32)O.[Cl-]

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(C[NH3+])C2=CC=C(C3=CC=CC=C32)O.[Cl-]

>  <InChI Std. ID>
InChI=1S/C18H17NO.ClH/c19-12-17(13-6-2-1-3-7-13)15-10-11-18(20)16-9-5-4-8-14(15)16;/h1-11,17,20H,12,19H2;1H

>  <InChI Key>
ALKVUXCRWMJADM-UHFFFAOYSA-N

