1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid; methanesulfonic acid Openeye Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid; methanesulfonic acid CAS Name: 1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; methanesulfonic acid IUPAC Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid; methanesulfonic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid; mesylic acid Formula: C19H28FN3O9S2 MolecularWeight: 525.568723

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C17H20FN3O3.2CH4O3S/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;2*1-5(2,3)4/h8-10H,3-7H2,1-2H3,(H,23,24);2*1H3,(H,2,3,4)