1-butyl-7-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-1-ium-3-carboxylate

Systemtic Name: 1-butyl-7-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-1-ium-3-carboxylate Openeye Name: 1-butyl-7-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinolin-1-ium-3-carboxylate CAS Name: 1-butyl-7-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolin-1-iumcarboxylate IUPAC Name: 1-butyl-7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-1-ium-3-carboxylate Traditional Name: 1-butyl-7-chloro-1-cyclopropyl-6-fluoro-4-keto-quinolin-1-ium-3-carboxylate Formula: C17H17ClFNO3 MolecularWeight: 337.773183

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=C(C(=O)C2=CC(=C(C=C21)Cl)F)C(=O)[O-])C3CC3

Isomeric SMILES

CCCC[N+]1(C=C(C(=O)C2=CC(=C(C=C21)Cl)F)C(=O)[O-])C3CC3

InChI

InChI=1S/C17H17ClFNO3/c1-2-3-6-20(10-4-5-10)9-12(17(22)23)16(21)11-7-14(19)13(18)8-15(11)20/h7-10H,2-6H2,1H3