N-(1,2-dimethyl-4-oxidanylidene-3-phenyl-3H-pyrazol-1-ium-5-yl)quinoline-8-sulfonamide

Systemtic Name: N-(1,2-dimethyl-4-oxidanylidene-3-phenyl-3H-pyrazol-1-ium-5-yl)quinoline-8-sulfonamide Openeye Name: N-(1,2-dimethyl-4-oxo-3-phenyl-3H-pyrazol-1-ium-5-yl)quinoline-8-sulfonamide CAS Name: N-(1,2-dimethyl-4-oxo-3-phenyl-3H-pyrazol-1-ium-5-yl)-8-quinolinesulfonamide IUPAC Name: N-(1,2-dimethyl-4-oxo-3-phenyl-3H-pyrazol-1-ium-5-yl)quinoline-8-sulfonamide Traditional Name: N-(4-keto-1,2-dimethyl-5-phenyl-2-pyrazolin-2-ium-3-yl)quinoline-8-sulfonamide Formula: C20H19N4O3S+ MolecularWeight: 395.45486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)C(=[N+]1C)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(C(=O)C(=[N+]1C)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4O3S/c1-23-18(15-8-4-3-5-9-15)19(25)20(24(23)2)22-28(26,27)16-12-6-10-14-11-7-13-21-17(14)16/h3-13,18H,1-2H3/p+1