methyl 4-methyl-3-[[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-methyl-3-[[oxo-[1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-methyl-3-[[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotoyl]amino]benzoic acid methyl ester Formula: C21H23F3N3O3+ MolecularWeight: 422.42083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O3/c1-13-3-4-15(20(29)30-2)11-17(13)26-19(28)14-7-9-27(10-8-14)18-6-5-16(12-25-18)21(22,23)24/h3-6,11-12,14H,7-10H2,1-2H3,(H,26,28)/p+1