ethyl 4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]-2-(trifluoromethyl)quinoline-6-carboxylate

Systemtic Name: ethyl 4-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]-2-(trifluoromethyl)quinoline-6-carboxylate Openeye Name: ethyl 4-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-(trifluoromethyl)quinoline-6-carboxylate CAS Name: 4-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-2-(trifluoromethyl)-6-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-(trifluoromethyl)quinoline-6-carboxylate Traditional Name: 4-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-(trifluoromethyl)quinoline-6-carboxylic acid ethyl ester Formula: C25H27F3N3O2+ MolecularWeight: 458.49599

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(C=C2NC3CC[NH+](CC3)CC4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(C=C2NC3CC[NH+](CC3)CC4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C25H26F3N3O2/c1-2-33-24(32)18-8-9-21-20(14-18)22(15-23(30-21)25(26,27)28)29-19-10-12-31(13-11-19)16-17-6-4-3-5-7-17/h3-9,14-15,19H,2,10-13,16H2,1H3,(H,29,30)/p+1