6-fluoranyl-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid hydrate

Systemtic Name: 6-fluoranyl-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid hydrate Openeye Name: 6-fluoro-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid hydrate CAS Name: 6-fluoro-1-(methylamino)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid hydrate IUPAC Name: 6-fluoro-1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid hydrate Traditional Name: 6-fluoro-4-keto-1-(methylamino)-7-(4-methylpiperazino)quinoline-3-carboxylic acid hydrate Formula: C16H21FN4O4 MolecularWeight: 352.360743

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Descriptors Computed from Structure

Canonical SMILES:

CNN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.O

Isomeric SMILES

CNN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.O

InChI

InChI=1S/C16H19FN4O3.H2O/c1-18-21-9-11(16(23)24)15(22)10-7-12(17)14(8-13(10)21)20-5-3-19(2)4-6-20;/h7-9,18H,3-6H2,1-2H3,(H,23,24);1H2