(3,4-dimethoxyphenyl)-(2-methylsulfanyl-3H-benzimidazol-1-ium-1-yl)methanone

Systemtic Name: (3,4-dimethoxyphenyl)-(2-methylsulfanyl-3H-benzimidazol-1-ium-1-yl)methanone Openeye Name: (3,4-dimethoxyphenyl)-(2-methylsulfanyl-3H-benzimidazol-1-ium-1-yl)methanone CAS Name: (3,4-dimethoxyphenyl)-[2-(methylthio)-3H-benzimidazol-1-ium-1-yl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-(2-methylsulfanyl-3H-benzimidazol-1-ium-1-yl)methanone Traditional Name: (3,4-dimethoxyphenyl)-[2-(methylthio)-3H-benzimidazol-1-ium-1-yl]methanone Formula: C17H17N2O3S+ MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)[N+]2=C(NC3=CC=CC=C32)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[N+]2=C(NC3=CC=CC=C32)SC)OC

InChI

InChI=1S/C17H16N2O3S/c1-21-14-9-8-11(10-15(14)22-2)16(20)19-13-7-5-4-6-12(13)18-17(19)23-3/h4-10H,1-3H3/p+1