1-ethyl-6-fluoranyl-7-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(1-tert-butoxycarbonyl-3-methyl-piperazin-1-ium-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[3-methyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(1-tert-butoxycarbonyl-3-methyl-piperazin-1-ium-1-yl)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H29FN3O5+ MolecularWeight: 434.481163

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)[N+]3(CCNC(C3)C)C(=O)OC(C)(C)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)[N+]3(CCNC(C3)C)C(=O)OC(C)(C)C)F)C(=O)O

InChI

InChI=1S/C22H28FN3O5/c1-6-25-11-15(20(28)29)19(27)14-9-16(23)18(10-17(14)25)26(8-7-24-13(2)12-26)21(30)31-22(3,4)5/h9-11,13,24H,6-8,12H2,1-5H3/p+1