7-(2-azaniumylethylamino)-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 7-(2-azaniumylethylamino)-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-(2-azaniumylethylamino)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylate CAS Name: 7-(2-ammonioethylamino)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-(2-azaniumylethylamino)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate Traditional Name: 7-(2-ammonioethylamino)-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylate Formula: C16H18FN3O4 MolecularWeight: 335.330223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1NCC[NH3+])F)C(=O)C(=CN2C3CC3)C(=O)[O-]

Isomeric SMILES

COC1=C2C(=CC(=C1NCC[NH3+])F)C(=O)C(=CN2C3CC3)C(=O)[O-]

InChI

InChI=1S/C16H18FN3O4/c1-24-15-12(19-5-4-18)11(17)6-9-13(15)20(8-2-3-8)7-10(14(9)21)16(22)23/h6-8,19H,2-5,18H2,1H3,(H,22,23)