methyl 1-(1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-ium-1-carboxylate

Systemtic Name: methyl 1-(1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)piperazin-1-ium-1-carboxylate Openeye Name: methyl 1-(1-cyclopropyl-6-fluoro-4-oxo-7-quinolyl)piperazin-1-ium-1-carboxylate CAS Name: 1-(1-cyclopropyl-6-fluoro-4-oxo-7-quinolinyl)-1-piperazin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-ium-1-carboxylate Traditional Name: 1-(1-cyclopropyl-6-fluoro-4-keto-7-quinolyl)piperazin-1-ium-1-carboxylic acid methyl ester Formula: C18H21FN3O3+ MolecularWeight: 346.376043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[N+]1(CCNCC1)C2=C(C=C3C(=O)C=CN(C3=C2)C4CC4)F

Isomeric SMILES

COC(=O)[N+]1(CCNCC1)C2=C(C=C3C(=O)C=CN(C3=C2)C4CC4)F

InChI

InChI=1S/C18H21FN3O3/c1-25-18(24)22(8-5-20-6-9-22)16-11-15-13(10-14(16)19)17(23)4-7-21(15)12-2-3-12/h4,7,10-12,20H,2-3,5-6,8-9H2,1H3/q+1