6-fluoranyl-1-naphthalen-1-yl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid; methanesulfonic acid

Systemtic Name: 6-fluoranyl-1-naphthalen-1-yl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid; methanesulfonic acid Openeye Name: 6-fluoro-1-(1-naphthyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid; methanesulfonic acid CAS Name: 6-fluoro-1-(1-naphthalenyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid; methanesulfonic acid IUPAC Name: 6-fluoro-1-naphthalen-1-yl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid; methanesulfonic acid Traditional Name: 6-fluoro-4-keto-1-(1-naphthyl)-7-piperazino-quinoline-3-carboxylic acid; mesylic acid Formula: C25H24FN3O6S MolecularWeight: 513.537963

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC5=CC=CC=C54)F

Isomeric SMILES

CS(=O)(=O)O.C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC5=CC=CC=C54)F

InChI

InChI=1S/C24H20FN3O3.CH4O3S/c25-19-12-17-21(13-22(19)27-10-8-26-9-11-27)28(14-18(23(17)29)24(30)31)20-7-3-5-15-4-1-2-6-16(15)20;1-5(2,3)4/h1-7,12-14,26H,8-11H2,(H,30,31);1H3,(H,2,3,4)