2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)thio]-1-(4-methoxyphenyl)ethanone Formula: C17H17N2O3S+ MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=[NH+]C3=C(N2)C=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=[NH+]C3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C17H16N2O3S/c1-21-12-5-3-11(4-6-12)16(20)10-23-17-18-14-8-7-13(22-2)9-15(14)19-17/h3-9H,10H2,1-2H3,(H,18,19)/p+1