ethyl 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 4-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-8-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-8-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C20H25F3N3O2+ MolecularWeight: 396.42661

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1N(C)C3CC[NH+](CC3)C)C=CC=C2C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1N(C)C3CC[NH+](CC3)C)C=CC=C2C(F)(F)F

InChI

InChI=1S/C20H24F3N3O2/c1-4-28-19(27)15-12-24-17-14(6-5-7-16(17)20(21,22)23)18(15)26(3)13-8-10-25(2)11-9-13/h5-7,12-13H,4,8-11H2,1-3H3/p+1