6-methoxy-2-[4-methoxy-3,5-dimethyl-2-(oxidanylsulfanylmethyl)pyridin-1-ium-1-yl]-1H-benzimidazole

Systemtic Name: 6-methoxy-2-[4-methoxy-3,5-dimethyl-2-(oxidanylsulfanylmethyl)pyridin-1-ium-1-yl]-1H-benzimidazole Openeye Name: 2-[2-(hydroxysulfanylmethyl)-4-methoxy-3,5-dimethyl-pyridin-1-ium-1-yl]-6-methoxy-1H-benzimidazole CAS Name: [4-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-2-pyridin-1-iumyl]methanesulfenic acid IUPAC Name: 2-[2-(hydroxysulfanylmethyl)-4-methoxy-3,5-dimethylpyridin-1-ium-1-yl]-6-methoxy-1H-benzimidazole Traditional Name: 6-methoxy-2-[4-methoxy-3,5-dimethyl-2-(sulfenomethyl)pyridin-1-ium-1-yl]-1H-benzimidazole Formula: C17H20N3O3S+ MolecularWeight: 346.424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C(=C1OC)C)CSO)C2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CC1=C[N+](=C(C(=C1OC)C)CSO)C2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C17H19N3O3S/c1-10-8-20(15(9-24-21)11(2)16(10)23-4)17-18-13-6-5-12(22-3)7-14(13)19-17/h5-8H,9H2,1-4H3,(H-,18,19,21)/p+1