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

Systemtic Name: 1-ethyl-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-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-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-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H27FN3O5+ MolecularWeight: 420.454583

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)[N+]3(CCNCC3)C(=O)OC(C)(C)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)[N+]3(CCNCC3)C(=O)OC(C)(C)C)F)C(=O)O

InChI

InChI=1S/C21H26FN3O5/c1-5-24-12-14(19(27)28)18(26)13-10-15(22)17(11-16(13)24)25(8-6-23-7-9-25)20(29)30-21(2,3)4/h10-12,23H,5-9H2,1-4H3/p+1