6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-7-piperazin-1-ium-1-ylidene-4aH-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-7-piperazin-1-ium-1-ylidene-4aH-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ium-1-ylidene-4aH-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(1-piperazin-1-iumylidene)-4aH-quinoline-3-carboxylic acid IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ium-1-ylidene-4aH-quinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-7-piperazin-1-ium-1-ylidene-4aH-quinoline-3-carboxylic acid Formula: C20H18F2N3O3+ MolecularWeight: 386.372026

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C2C=C3C(C=C2F)C(=O)C(=CN3C4=CC=C(C=C4)F)C(=O)O)CCN1

Isomeric SMILES

C1C[N+](=C2C=C3C(C=C2F)C(=O)C(=CN3C4=CC=C(C=C4)F)C(=O)O)CCN1

InChI

InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,14,23H,5-8H2/p+1