1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid; methanesulfonate; hydrate

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid; methanesulfonate; hydrate Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid; methanesulfonate; hydrate CAS Name: 1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid; methanesulfonate; hydrate IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid; methanesulfonate; hydrate Traditional Name: 1-ethyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid mesylate hydrate Formula: C17H23FN3O7S- MolecularWeight: 432.443823

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.CS(=O)(=O)[O-].O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.CS(=O)(=O)[O-].O

InChI

InChI=1S/C16H18FN3O3.CH4O3S.H2O/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20;1-5(2,3)4;/h7-9,18H,2-6H2,1H3,(H,22,23);1H3,(H,2,3,4);1H2/p-1