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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(1-tert-butoxycarbonylpiperazin-1-ium-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(1-tert-butoxycarbonylpiperazin-1-ium-1-yl)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H27FN3O5+ MolecularWeight: 432.465283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C22H26FN3O5/c1-22(2,3)31-21(30)26(8-6-24-7-9-26)18-11-17-14(10-16(18)23)19(27)15(20(28)29)12-25(17)13-4-5-13/h10-13,24H,4-9H2,1-3H3/p+1