ethyl 4-(4-phenylpiperazin-1-yl)-2-(trifluoromethyl)quinolin-1-ium-6-carboxylate

Systemtic Name: ethyl 4-(4-phenylpiperazin-1-yl)-2-(trifluoromethyl)quinolin-1-ium-6-carboxylate Openeye Name: ethyl 4-(4-phenylpiperazin-1-yl)-2-(trifluoromethyl)quinolin-1-ium-6-carboxylate CAS Name: 4-(4-phenyl-1-piperazinyl)-2-(trifluoromethyl)-6-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-phenylpiperazin-1-yl)-2-(trifluoromethyl)quinolin-1-ium-6-carboxylate Traditional Name: 4-(4-phenylpiperazino)-2-(trifluoromethyl)quinolin-1-ium-6-carboxylic acid ethyl ester Formula: C23H23F3N3O2+ MolecularWeight: 430.44283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)[NH+]=C(C=C2N3CCN(CC3)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)[NH+]=C(C=C2N3CCN(CC3)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H22F3N3O2/c1-2-31-22(30)16-8-9-19-18(14-16)20(15-21(27-19)23(24,25)26)29-12-10-28(11-13-29)17-6-4-3-5-7-17/h3-9,14-15H,2,10-13H2,1H3/p+1