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

Systemtic Name: 1-(butylsulfanylmethyl)-3-(phenylmethyl)benzimidazol-3-ium Openeye Name: 1-benzyl-3-(butylsulfanylmethyl)benzimidazol-1-ium CAS Name: 1-[(butylthio)methyl]-3-(phenylmethyl)benzimidazol-3-ium IUPAC Name: 1-benzyl-3-(butylsulfanylmethyl)benzimidazol-1-ium Traditional Name: 1-benzyl-3-[(butylthio)methyl]benzimidazol-1-ium Formula: C19H23N2S+ MolecularWeight: 311.46432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CCCCSCN1C=[N+](C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N2S/c1-2-3-13-22-16-21-15-20(14-17-9-5-4-6-10-17)18-11-7-8-12-19(18)21/h4-12,15H,2-3,13-14,16H2,1H3/q+1