5-azanyl-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate

Systemtic Name: 5-azanyl-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate Openeye Name: 5-amino-1-ethyl-6,8-difluoro-4-oxo-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate CAS Name: 5-amino-1-ethyl-6,8-difluoro-4-oxo-7-(1-piperazin-4-iumyl)-3-quinolinecarboxylate IUPAC Name: 5-amino-1-ethyl-6,8-difluoro-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate Traditional Name: 5-amino-1-ethyl-6,8-difluoro-4-keto-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate Formula: C16H18F2N4O3 MolecularWeight: 352.335926

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(C(=C2N)F)N3CC[NH2+]CC3)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(C(=C2N)F)N3CC[NH2+]CC3)F)C(=O)[O-]

InChI

InChI=1S/C16H18F2N4O3/c1-2-21-7-8(16(24)25)15(23)9-12(19)10(17)14(11(18)13(9)21)22-5-3-20-4-6-22/h7,20H,2-6,19H2,1H3,(H,24,25)