1-methyl-3-(phenylmethyl)-2-phenylsulfanyl-benzimidazol-1-ium

Systemtic Name: 1-methyl-3-(phenylmethyl)-2-phenylsulfanyl-benzimidazol-1-ium Openeye Name: 1-benzyl-3-methyl-2-phenylsulfanyl-benzimidazol-3-ium CAS Name: 1-methyl-3-(phenylmethyl)-2-(phenylthio)benzimidazol-1-ium IUPAC Name: 1-benzyl-3-methyl-2-phenylsulfanylbenzimidazol-3-ium Traditional Name: 1-benzyl-3-methyl-2-(phenylthio)benzimidazol-3-ium Formula: C21H19N2S+ MolecularWeight: 331.45396

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H19N2S/c1-22-19-14-8-9-15-20(19)23(16-17-10-4-2-5-11-17)21(22)24-18-12-6-3-7-13-18/h2-15H,16H2,1H3/q+1