1-methyl-2-phenylsulfanyl-3-prop-2-enyl-benzimidazol-1-ium bromide

Systemtic Name: 1-methyl-2-phenylsulfanyl-3-prop-2-enyl-benzimidazol-1-ium bromide Openeye Name: 1-allyl-3-methyl-2-phenylsulfanyl-benzimidazol-3-ium bromide CAS Name: 1-methyl-2-(phenylthio)-3-prop-2-enylbenzimidazol-1-ium bromide IUPAC Name: 1-methyl-2-phenylsulfanyl-3-prop-2-enylbenzimidazol-1-ium bromide Traditional Name: 1-allyl-3-methyl-2-(phenylthio)benzimidazol-3-ium bromide Formula: C17H17BrN2S MolecularWeight: 361.29928

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC=C)SC3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CC=C)SC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H17N2S.BrH/c1-3-13-19-16-12-8-7-11-15(16)18(2)17(19)20-14-9-5-4-6-10-14;/h3-12H,1,13H2,2H3;1H/q+1;/p-1