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

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-7-piperazin-1-ium-1-ylidene-4aH-quinoline-3-carboxylic acid hydrochloride Openeye Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ium-1-ylidene-4aH-quinoline-3-carboxylic acid hydrochloride CAS Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(1-piperazin-1-iumylidene)-4aH-quinoline-3-carboxylic acid hydrochloride IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ium-1-ylidene-4aH-quinoline-3-carboxylic acid hydrochloride Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-7-piperazin-1-ium-1-ylidene-4aH-quinoline-3-carboxylic acid hydrochloride Formula: C20H19ClF2N3O3+ MolecularWeight: 422.832966

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H17F2N3O3.ClH/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;1H/p+1