2-[[1-(1H-benzimidazol-2-yl)-4-(3-methoxypropoxy)-3-methyl-pyridin-1-ium-2-yl]methyldisulfanyl]ethanol chloride

Systemtic Name: 2-[[1-(1H-benzimidazol-2-yl)-4-(3-methoxypropoxy)-3-methyl-pyridin-1-ium-2-yl]methyldisulfanyl]ethanol chloride Openeye Name: 2-[[1-(1H-benzimidazol-2-yl)-4-(3-methoxypropoxy)-3-methyl-pyridin-1-ium-2-yl]methyldisulfanyl]ethanol chloride CAS Name: 2-[[1-(1H-benzimidazol-2-yl)-4-(3-methoxypropoxy)-3-methyl-2-pyridin-1-iumyl]methyldisulfanyl]ethanol chloride IUPAC Name: 2-[[1-(1H-benzimidazol-2-yl)-4-(3-methoxypropoxy)-3-methylpyridin-1-ium-2-yl]methyldisulfanyl]ethanol chloride Traditional Name: 2-[[1-(1H-benzimidazol-2-yl)-4-(3-methoxypropoxy)-3-methyl-pyridin-1-ium-2-yl]methyldisulfanyl]ethanol chloride Formula: C20H26ClN3O3S2 MolecularWeight: 456.02174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1CSSCCO)C2=NC3=CC=CC=C3N2)OCCCOC.[Cl-]

Isomeric SMILES

CC1=C(C=C[N+](=C1CSSCCO)C2=NC3=CC=CC=C3N2)OCCCOC.[Cl-]

InChI

InChI=1S/C20H26N3O3S2.ClH/c1-15-18(14-28-27-13-10-24)23(9-8-19(15)26-12-5-11-25-2)20-21-16-6-3-4-7-17(16)22-20;/h3-4,6-9,24H,5,10-14H2,1-2H3,(H,21,22);1H/q+1;/p-1