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

Systemtic Name: 1-(hexylsulfanylmethyl)-3-(phenylmethyl)benzimidazol-3-ium Openeye Name: 1-benzyl-3-(hexylsulfanylmethyl)benzimidazol-1-ium CAS Name: 1-[(hexylthio)methyl]-3-(phenylmethyl)benzimidazol-3-ium IUPAC Name: 1-benzyl-3-(hexylsulfanylmethyl)benzimidazol-1-ium Traditional Name: 1-benzyl-3-[(hexylthio)methyl]benzimidazol-1-ium Formula: C21H27N2S+ MolecularWeight: 339.51748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCSCN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N2S/c1-2-3-4-10-15-24-18-23-17-22(16-19-11-6-5-7-12-19)20-13-8-9-14-21(20)23/h5-9,11-14,17H,2-4,10,15-16,18H2,1H3/q+1