3,3-dimethyl-5-oxidanylidene-5-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]pentanoate

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]pentanoate Openeye Name: 3,3-dimethyl-5-oxo-5-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]pentanoate CAS Name: 3,3-dimethyl-5-oxo-5-[4-[2-(trifluoromethyl)-4-quinolin-1-iumyl]-1-piperazinyl]pentanoate IUPAC Name: 3,3-dimethyl-5-oxo-5-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazin-1-yl]pentanoate Traditional Name: 5-keto-3,3-dimethyl-5-[4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazino]valerate Formula: C21H24F3N3O3 MolecularWeight: 423.42877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCN(CC1)C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)N1CCN(CC1)C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F)CC(=O)[O-]

InChI

InChI=1S/C21H24F3N3O3/c1-20(2,13-19(29)30)12-18(28)27-9-7-26(8-10-27)16-11-17(21(22,23)24)25-15-6-4-3-5-14(15)16/h3-6,11H,7-10,12-13H2,1-2H3,(H,29,30)