methyl 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate

Systemtic Name: methyl 1-ethyl-6-fluoranyl-4-oxidanylidene-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate Openeye Name: methyl 1-ethyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-4-oxo-7-(1-piperazin-4-iumyl)-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-ethyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-4-keto-7-piperazin-4-ium-1-yl-quinoline-3-carboxylic acid methyl ester Formula: C17H21FN3O3+ MolecularWeight: 334.365343

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH2+]CC3)F)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH2+]CC3)F)C(=O)OC

InChI

InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24-2)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19-5-7-21/h8-10,19H,3-7H2,1-2H3/p+1