1-ethyl-6-fluoranyl-5-methyl-4-oxidanylidene-1-piperazin-1-yl-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-5-methyl-4-oxidanylidene-1-piperazin-1-yl-quinolin-1-ium-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-5-methyl-4-oxo-1-piperazin-1-yl-quinolin-1-ium-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-5-methyl-4-oxo-1-(1-piperazinyl)-3-quinolin-1-iumcarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-5-methyl-4-oxo-1-piperazin-1-ylquinolin-1-ium-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-5-methyl-1-piperazino-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(=C2C)F)C(=O)O)N3CCNCC3

Isomeric SMILES

CC[N+]1(C=C(C(=O)C2=C1C=CC(=C2C)F)C(=O)O)N3CCNCC3

InChI

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