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

Systemtic Name: 1-methyl-3-(phenylmethyl)-2-phenylsulfanyl-benzimidazol-1-ium bromide Openeye Name: 1-benzyl-3-methyl-2-phenylsulfanyl-benzimidazol-3-ium bromide CAS Name: 1-methyl-3-(phenylmethyl)-2-(phenylthio)benzimidazol-1-ium bromide IUPAC Name: 1-benzyl-3-methyl-2-phenylsulfanylbenzimidazol-3-ium bromide Traditional Name: 1-benzyl-3-methyl-2-(phenylthio)benzimidazol-3-ium bromide Formula: C21H19BrN2S MolecularWeight: 411.35796

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H19N2S.BrH/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;1H/q+1;/p-1