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

Systemtic Name: 1-butyl-3-(hexylsulfanylmethyl)benzimidazol-3-ium Openeye Name: 1-butyl-3-(hexylsulfanylmethyl)benzimidazol-3-ium CAS Name: 1-butyl-3-[(hexylthio)methyl]benzimidazol-3-ium IUPAC Name: 1-butyl-3-(hexylsulfanylmethyl)benzimidazol-3-ium Traditional Name: 1-butyl-3-[(hexylthio)methyl]benzimidazol-3-ium Formula: C18H29N2S+ MolecularWeight: 305.50126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC[N+]1=CN(C2=CC=CC=C21)CCCC

Isomeric SMILES

CCCCCCSC[N+]1=CN(C2=CC=CC=C21)CCCC

InChI

InChI=1S/C18H29N2S/c1-3-5-7-10-14-21-16-20-15-19(13-6-4-2)17-11-8-9-12-18(17)20/h8-9,11-12,15H,3-7,10,13-14,16H2,1-2H3/q+1