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1-(dodecylsulfanylmethyl)-3-(phenylmethyl)benzimidazol-3-ium

1-(dodecylsulfanylmethyl)-3-(phenylmethyl)benzimidazol-3-ium

Systemtic Name:1-(dodecylsulfanylmethyl)-3-(phenylmethyl)benzimidazol-3-ium
Openeye Name:1-benzyl-3-(dodecylsulfanylmethyl)benzimidazol-1-ium
CAS Name:1-[(dodecylthio)methyl]-3-(phenylmethyl)benzimidazol-3-ium
IUPAC Name:1-benzyl-3-(dodecylsulfanylmethyl)benzimidazol-1-ium
Traditional Name:1-benzyl-3-[(laurylthio)methyl]benzimidazol-1-ium
Formula: C27H39N2S+
MolecularWeight: 423.67696
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3


Isomeric SMILES

CCCCCCCCCCCCSCN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3


InChI

InChI=1S/C27H39N2S/c1-2-3-4-5-6-7-8-9-10-16-21-30-24-29-23-28(22-25-17-12-11-13-18-25)26-19-14-15-20-27(26)29/h11-15,17-20,23H,2-10,16,21-22,24H2,1H3/q+1


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