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

Systemtic Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 4-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C18H21F3N3O2+ MolecularWeight: 368.37345

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C2=C3C=CC=C(C3=NC=C2C(=O)O)C(F)(F)F

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C2=C3C=CC=C(C3=NC=C2C(=O)O)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O2/c1-23-8-6-11(7-9-23)24(2)16-12-4-3-5-14(18(19,20)21)15(12)22-10-13(16)17(25)26/h3-5,10-11H,6-9H2,1-2H3,(H,25,26)/p+1