6-methyl-2-(1-phenylethylsulfanyl)-1H-benzimidazol-3-ium

Systemtic Name: 6-methyl-2-(1-phenylethylsulfanyl)-1H-benzimidazol-3-ium Openeye Name: 6-methyl-2-(1-phenylethylsulfanyl)-1H-benzimidazol-3-ium CAS Name: 6-methyl-2-(1-phenylethylthio)-1H-benzimidazol-3-ium IUPAC Name: 6-methyl-2-(1-phenylethylsulfanyl)-1H-benzimidazol-3-ium Traditional Name: 6-methyl-2-(1-phenylethylthio)-1H-benzimidazol-3-ium Formula: C16H17N2S+ MolecularWeight: 269.38458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(N2)SC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(N2)SC(C)C3=CC=CC=C3

InChI

InChI=1S/C16H16N2S/c1-11-8-9-14-15(10-11)18-16(17-14)19-12(2)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,17,18)/p+1