N-(3,5-dimethylphenyl)-2-[(1-oxidanidylquinolin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(1-oxidanidylquinolin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(1-oxidoquinolin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[(1-oxido-4-quinolin-1-iumyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(1-oxidoquinolin-1-ium-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(1-oxidoquinolin-1-ium-4-yl)methylthio]nicotinamide Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=[N+](C4=CC=CC=C34)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=[N+](C4=CC=CC=C34)[O-])C

InChI

InChI=1S/C24H21N3O2S/c1-16-12-17(2)14-19(13-16)26-23(28)21-7-5-10-25-24(21)30-15-18-9-11-27(29)22-8-4-3-6-20(18)22/h3-14H,15H2,1-2H3,(H,26,28)