1-cyclopropyl-6-fluoranyl-4-oxidanylidene-1-piperazin-1-yl-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-1-piperazin-1-yl-quinolin-1-ium-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-1-piperazin-1-yl-quinolin-1-ium-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-1-(1-piperazinyl)-3-quinolin-1-iumcarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-1-piperazin-1-ylquinolin-1-ium-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-1-piperazino-quinolin-1-ium-3-carboxylic acid Formula: C17H19FN3O3+ MolecularWeight: 332.349463

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[N+]2(C=C(C(=O)C3=C2C=CC(=C3)F)C(=O)O)N4CCNCC4

Isomeric SMILES

C1CC1[N+]2(C=C(C(=O)C3=C2C=CC(=C3)F)C(=O)O)N4CCNCC4

InChI

InChI=1S/C17H18FN3O3/c18-11-1-4-15-13(9-11)16(22)14(17(23)24)10-21(15,12-2-3-12)20-7-5-19-6-8-20/h1,4,9-10,12,19H,2-3,5-8H2/p+1