7-(1-ethylpiperazin-1-ium-1-yl)-6-fluoranyl-4-oxidanylidene-1-phenyl-quinoline-3-carboxylic acid

Systemtic Name: 7-(1-ethylpiperazin-1-ium-1-yl)-6-fluoranyl-4-oxidanylidene-1-phenyl-quinoline-3-carboxylic acid Openeye Name: 7-(1-ethylpiperazin-1-ium-1-yl)-6-fluoro-4-oxo-1-phenyl-quinoline-3-carboxylic acid CAS Name: 7-(1-ethyl-1-piperazin-1-iumyl)-6-fluoro-4-oxo-1-phenyl-3-quinolinecarboxylic acid IUPAC Name: 7-(1-ethylpiperazin-1-ium-1-yl)-6-fluoro-4-oxo-1-phenylquinoline-3-carboxylic acid Traditional Name: 7-(1-ethylpiperazin-1-ium-1-yl)-6-fluoro-4-keto-1-phenyl-quinoline-3-carboxylic acid Formula: C22H23FN3O3+ MolecularWeight: 396.434723

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCNCC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F

Isomeric SMILES

CC[N+]1(CCNCC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F

InChI

InChI=1S/C22H22FN3O3/c1-2-26(10-8-24-9-11-26)20-13-19-16(12-18(20)23)21(27)17(22(28)29)14-25(19)15-6-4-3-5-7-15/h3-7,12-14,24H,2,8-11H2,1H3/p+1