N-ethyl-N-(3-methylphenyl)-4-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1H-quinoline-6-sulfonamide

Systemtic Name: N-ethyl-N-(3-methylphenyl)-4-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-1H-quinoline-6-sulfonamide Openeye Name: N-ethyl-N-(m-tolyl)-4-oxo-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-quinoline-6-sulfonamide CAS Name: N-ethyl-N-(3-methylphenyl)-4-oxo-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1H-quinoline-6-sulfonamide IUPAC Name: N-ethyl-N-(3-methylphenyl)-4-oxo-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-quinoline-6-sulfonamide Traditional Name: N-ethyl-4-keto-N-(m-tolyl)-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1H-quinoline-6-sulfonamide Formula: C28H30N5O4S+ MolecularWeight: 532.6339

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)S(=O)(=O)C2=CC3=C(C=C2)NC=C(C3=O)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C28H29N5O4S/c1-3-33(21-8-6-7-20(2)17-21)38(36,37)22-10-11-25-23(18-22)27(34)24(19-30-25)28(35)32-15-13-31(14-16-32)26-9-4-5-12-29-26/h4-12,17-19H,3,13-16H2,1-2H3,(H,30,34)/p+1