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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazin-4-iumyl)-3-quinolinecarboxylate IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate Formula: C17H18FN3O3 MolecularWeight: 331.341523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC[NH2+]CC4)F)C(=O)[O-]

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC[NH2+]CC4)F)C(=O)[O-]

InChI

InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)