2-(3,4-dimethylphenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]nicotinamide Formula: C24H27N4O2S+ MolecularWeight: 435.56178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)C

InChI

InChI=1S/C24H26N4O2S/c1-17-5-7-20(14-18(17)2)31-24-21(4-3-9-25-24)23(29)27-16-19-6-8-22(26-15-19)28-10-12-30-13-11-28/h3-9,14-15H,10-13,16H2,1-2H3,(H,27,29)/p+1