
 BW 284c51

 68 69  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2 22  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
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  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
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  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
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M  CHG  2   2   1  10   1
M  END

>  <Chemical Name>
BW 284c51

>  <PubChem CID>
6603715

>  <Formula>
C27H38N2O+2

>  <Molecular Weight>
406.614000

>  <IUPAC Name>
[5-[dimethyl-(4-prop-2-enylphenyl)azaniumyl]-3-oxopentyl]-dimethyl-(4-prop-2-enylphenyl)azanium

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C[N+](C)(CCC(=O)CC[N+](C)(C)C1=CC=C(C=C1)CC=C)C2=CC=C(C=C2)CC=C

>  <Isomeric SMILES>
C[N+](C)(CCC(=O)CC[N+](C)(C)C1=CC=C(C=C1)CC=C)C2=CC=C(C=C2)CC=C

>  <InChI Std. ID>
InChI=1S/C27H38N2O/c1-7-9-23-11-15-25(16-12-23)28(3,4)21-19-27(30)20-22-29(5,6)26-17-13-24(10-8-2)14-18-26/h7-8,11-18H,1-2,9-10,19-22H2,3-6H3/q+2

>  <InChI Key>
ASEOEGXVKNFXKD-UHFFFAOYSA-N

