2-[[4-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-pyridin-1-ium-2-yl]methyldisulfanyl]ethanol chloride

Systemtic Name: 2-[[4-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-pyridin-1-ium-2-yl]methyldisulfanyl]ethanol chloride Openeye Name: 2-[[4-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-pyridin-1-ium-2-yl]methyldisulfanyl]ethanol chloride CAS Name: 2-[[4-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-2-pyridin-1-iumyl]methyldisulfanyl]ethanol chloride IUPAC Name: 2-[[4-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethylpyridin-1-ium-2-yl]methyldisulfanyl]ethanol chloride Traditional Name: 2-[[4-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)-3,5-dimethyl-pyridin-1-ium-2-yl]methyldisulfanyl]ethanol chloride Formula: C19H24ClN3O3S2 MolecularWeight: 441.99516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C(=C1OC)C)CSSCCO)C2=NC3=C(N2)C=C(C=C3)OC.[Cl-]

Isomeric SMILES

CC1=C[N+](=C(C(=C1OC)C)CSSCCO)C2=NC3=C(N2)C=C(C=C3)OC.[Cl-]

InChI

InChI=1S/C19H24N3O3S2.ClH/c1-12-10-22(17(11-27-26-8-7-23)13(2)18(12)25-4)19-20-15-6-5-14(24-3)9-16(15)21-19;/h5-6,9-10,23H,7-8,11H2,1-4H3,(H,20,21);1H/q+1;/p-1