3-[4-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-pyridin-1-ium-2-yl]-3,3-bis(sulfanyl)propan-1-ol

Systemtic Name: 3-[4-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-pyridin-1-ium-2-yl]-3,3-bis(sulfanyl)propan-1-ol Openeye Name: 3-[4-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-pyridin-1-ium-2-yl]-3,3-bis(sulfanyl)propan-1-ol CAS Name: 3,3-dimercapto-3-[4-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-2-pyridin-1-iumyl]-1-propanol IUPAC Name: 3-[4-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethylpyridin-1-ium-2-yl]-3,3-bis(sulfanyl)propan-1-ol Traditional Name: 3,3-dimercapto-3-[4-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-pyridin-1-ium-2-yl]propan-1-ol Formula: C19H24N3O3S2+ MolecularWeight: 406.54216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S2/c1-11-10-22(17(12(2)16(11)25-4)19(26,27)7-8-23)18-20-14-6-5-13(24-3)9-15(14)21-18/h5-6,9-10,23H,7-8H2,1-4H3,(H2-,20,21,26,27)/p+1