2-[1-methyl-2-[[3-methyl-4-(2-morpholin-4-ylethylsulfanyl)pyridin-2-yl]methylsulfanyl]benzimidazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-methyl-2-[[3-methyl-4-(2-morpholin-4-ylethylsulfanyl)pyridin-2-yl]methylsulfanyl]benzimidazol-1-ium-1-yl]ethanoate Openeye Name: 2-[1-methyl-2-[[3-methyl-4-(2-morpholinoethylsulfanyl)-2-pyridyl]methylsulfanyl]benzimidazol-1-ium-1-yl]acetate CAS Name: 2-[1-methyl-2-[[3-methyl-4-[2-(4-morpholinyl)ethylthio]-2-pyridinyl]methylthio]-1-benzimidazol-1-iumyl]acetate IUPAC Name: 2-[1-methyl-2-[[3-methyl-4-(2-morpholin-4-ylethylsulfanyl)pyridin-2-yl]methylsulfanyl]benzimidazol-1-ium-1-yl]acetate Traditional Name: 2-[1-methyl-2-[[3-methyl-4-(2-morpholinoethylthio)-2-pyridyl]methylthio]benzimidazol-1-ium-1-yl]acetate Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3[N+]2(C)CC(=O)[O-])SCCN4CCOCC4

Isomeric SMILES

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3[N+]2(C)CC(=O)[O-])SCCN4CCOCC4

InChI

InChI=1S/C23H28N4O3S2/c1-17-19(24-8-7-21(17)31-14-11-26-9-12-30-13-10-26)16-32-23-25-18-5-3-4-6-20(18)27(23,2)15-22(28)29/h3-8H,9-16H2,1-2H3