
 BDBM50262235

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.8161   -0.4230   -1.6555 C   0  0  0  0  0
   -0.1185   -0.0777   -0.5308 C   0  0  0  0  0
    0.6597   -1.3706   -0.4894 C   0  0  0  0  0
    1.7781   -1.5703    0.5003 C   0  0  0  0  0
    1.3389   -2.4368    1.6503 C   0  0  0  0  0
    1.6349   -2.0580    3.0851 C   0  0  0  0  0
    0.2263   -1.9938    2.5727 C   0  0  0  0  0
    2.8749   -2.2220   -0.2116 N   0  0  0  0  0
    4.0659   -2.4959    0.2423 C   0  0  0  0  0
    4.5613   -2.2682    1.4338 N   0  0  0  0  0
    4.0193   -1.8334    2.1634 H   0  0  0  0  0
    5.8885   -2.8400    1.5066 C   0  0  0  0  0
    6.1763   -3.0702    0.0381 C   0  0  0  0  0
    4.8940   -3.0969   -0.6149 O   0  0  0  0  0
    0.3715   -0.7021   -2.6068 H   0  0  0  0  0
    1.7218    0.1650   -1.7512 H   0  0  0  0  0
   -1.1860   -0.1319   -0.7239 H   0  0  0  0  0
    0.1617    0.7386    0.1256 H   0  0  0  0  0
    0.1099   -2.2883   -0.6768 H   0  0  0  0  0
    2.1414   -0.5982    0.8611 H   0  0  0  0  0
    1.3361   -3.4901    1.3871 H   0  0  0  0  0
    2.1003   -1.1068    3.3208 H   0  0  0  0  0
    1.8701   -2.8505    3.7894 H   0  0  0  0  0
   -0.4760   -2.7457    2.9212 H   0  0  0  0  0
   -0.2211   -1.0146    2.4382 H   0  0  0  0  0
    2.7388   -2.4957   -1.1777 H   0  0  0  0  0
    6.5957   -2.1541    1.9784 H   0  0  0  0  0
    5.8407   -3.7777    2.0676 H   0  0  0  0  0
    6.7059   -4.0104   -0.1414 H   0  0  0  0  0
    6.7575   -2.2465   -0.3890 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
M  CHG  1  10   1
M  END

>  <Chemical Name>
BDBM50262235

>  <PubChem CID>
44577959

>  <Formula>
C10H17N2O+

>  <Molecular Weight>
181.259000

>  <IUPAC Name>
N-(dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-3-ium-2-amine

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CC1C(C2CC2)NC3=[NH+]CCO3

>  <Isomeric SMILES>
C1CC1C(C2CC2)NC3=[NH+]CCO3

>  <InChI Std. ID>
InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)/p+1

>  <InChI Key>
CQXADFVORZEARL-UHFFFAOYSA-O

