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

Systemtic Name: 3-[1-(1H-benzimidazol-2-yl)-4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl]-3,3-bis(sulfanyl)propan-1-ol Openeye Name: 3-[1-(1H-benzimidazol-2-yl)-4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl]-3,3-bis(sulfanyl)propan-1-ol CAS Name: 3-[1-(1H-benzimidazol-2-yl)-4-methoxy-3,5-dimethyl-2-pyridin-1-iumyl]-3,3-dimercapto-1-propanol IUPAC Name: 3-[1-(1H-benzimidazol-2-yl)-4-methoxy-3,5-dimethylpyridin-1-ium-2-yl]-3,3-bis(sulfanyl)propan-1-ol Traditional Name: 3-[1-(1H-benzimidazol-2-yl)-4-methoxy-3,5-dimethyl-pyridin-1-ium-2-yl]-3,3-dimercapto-propan-1-ol Formula: C18H22N3O2S2+ MolecularWeight: 376.51618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C(=C1OC)C)C(CCO)(S)S)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C[N+](=C(C(=C1OC)C)C(CCO)(S)S)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H21N3O2S2/c1-11-10-21(17-19-13-6-4-5-7-14(13)20-17)16(12(2)15(11)23-3)18(24,25)8-9-22/h4-7,10,22H,8-9H2,1-3H3,(H2-,19,20,24,25)/p+1