1-(4-fluorophenyl)-6-nitro-4-oxidanylidene-7-piperazine-1,4-diium-1-ylidene-4aH-quinoline-3-carboxylate

Systemtic Name: 1-(4-fluorophenyl)-6-nitro-4-oxidanylidene-7-piperazine-1,4-diium-1-ylidene-4aH-quinoline-3-carboxylate Openeye Name: 1-(4-fluorophenyl)-6-nitro-4-oxo-7-piperazine-1,4-diium-1-ylidene-4aH-quinoline-3-carboxylate CAS Name: 1-(4-fluorophenyl)-6-nitro-4-oxo-7-(1-piperazine-1,4-diiumylidene)-4aH-quinoline-3-carboxylate IUPAC Name: 1-(4-fluorophenyl)-6-nitro-4-oxo-7-piperazine-1,4-diium-1-ylidene-4aH-quinoline-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4-keto-6-nitro-7-piperazine-1,4-diium-1-ylidene-4aH-quinoline-3-carboxylate Formula: C20H18FN4O5+ MolecularWeight: 413.379123

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C2C=C3C(C=C2[N+](=O)[O-])C(=O)C(=CN3C4=CC=C(C=C4)F)C(=O)[O-])CC[NH2+]1

Isomeric SMILES

C1C[N+](=C2C=C3C(C=C2[N+](=O)[O-])C(=O)C(=CN3C4=CC=C(C=C4)F)C(=O)[O-])CC[NH2+]1

InChI

InChI=1S/C20H17FN4O5/c21-12-1-3-13(4-2-12)24-11-15(20(27)28)19(26)14-9-18(25(29)30)17(10-16(14)24)23-7-5-22-6-8-23/h1-4,9-11,14,22H,5-8H2/p+1