1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(3-oxidanylidenepiperazin-1-yl)-3H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(3-oxidanylidenepiperazin-1-yl)-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(3-oxopiperazin-1-yl)-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(3-oxo-1-piperazinyl)-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(3-oxopiperazin-1-yl)-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(3-ketopiperazino)-3H-quinolin-1-ium-3-carboxylic acid Formula: C17H17FN3O4+ MolecularWeight: 346.332983

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[N+]2=CC(C(=O)C3=CC(=C(C=C32)N4CCNC(=O)C4)F)C(=O)O

Isomeric SMILES

C1CC1[N+]2=CC(C(=O)C3=CC(=C(C=C32)N4CCNC(=O)C4)F)C(=O)O

InChI

InChI=1S/C17H16FN3O4/c18-12-5-10-13(6-14(12)20-4-3-19-15(22)8-20)21(9-1-2-9)7-11(16(10)23)17(24)25/h5-7,9,11H,1-4,8H2,(H-,19,22,24,25)/p+1