1-ethyl-6-fluoranyl-1-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-1-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinolin-1-ium-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-1-(4-methylpiperazin-1-yl)-4-oxo-quinolin-1-ium-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-1-(4-methyl-1-piperazinyl)-4-oxo-3-quinolin-1-iumcarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-1-(4-methylpiperazin-1-yl)-4-oxoquinolin-1-ium-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-1-(4-methylpiperazino)quinolin-1-ium-3-carboxylic acid Formula: C17H21FN3O3+ MolecularWeight: 334.365343

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=C(C(=O)C2=C1C=CC(=C2)F)C(=O)O)N3CCN(CC3)C

Isomeric SMILES

CC[N+]1(C=C(C(=O)C2=C1C=CC(=C2)F)C(=O)O)N3CCN(CC3)C

InChI

InChI=1S/C17H20FN3O3/c1-3-21(20-8-6-19(2)7-9-20)11-14(17(23)24)16(22)13-10-12(18)4-5-15(13)21/h4-5,10-11H,3,6-9H2,1-2H3/p+1