1-cyclopropyl-6-fluoranyl-7-[3-(1-methylpyridin-1-ium-4-yl)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid iodide

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[3-(1-methylpyridin-1-ium-4-yl)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid iodide Openeye Name: 1-cyclopropyl-6-fluoro-7-[3-(1-methylpyridin-1-ium-4-yl)pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid iodide CAS Name: 1-cyclopropyl-6-fluoro-7-[3-(1-methyl-4-pyridin-1-iumyl)-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid iodide IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-(1-methylpyridin-1-ium-4-yl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid iodide Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[3-(1-methylpyridin-1-ium-4-yl)pyrrolidino]quinoline-3-carboxylic acid iodide Formula: C23H23FIN3O3 MolecularWeight: 535.349893

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2CCN(C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2CCN(C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F.[I-]

InChI

InChI=1S/C23H22FN3O3.HI/c1-25-7-4-14(5-8-25)15-6-9-26(12-15)21-11-20-17(10-19(21)24)22(28)18(23(29)30)13-27(20)16-2-3-16;/h4-5,7-8,10-11,13,15-16H,2-3,6,9,12H2,1H3;1H