(3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide iodide

Systemtic Name: (3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide iodide Openeye Name: (3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide iodide CAS Name: (3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(1-methyl-1-piperidin-1-iumyl)-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide iodide IUPAC Name: (3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-4-(trifluoromethyl)-3,4-dihydropyrazole-5-carboxamide iodide Traditional Name: (4R,5R)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-4-(trifluoromethyl)-2-pyrazoline-3-carboxamide iodide Formula: C23H23Cl3F3IN4O MolecularWeight: 661.7136

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)NC(=O)C2=NN(C(C2C(F)(F)F)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)NC(=O)C2=NN([C@H]([C@H]2C(F)(F)F)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl.[I-]

InChI

InChI=1S/C23H22Cl3F3N4O.HI/c1-33(11-3-2-4-12-33)31-22(34)20-19(23(27,28)29)21(14-5-7-15(24)8-6-14)32(30-20)18-10-9-16(25)13-17(18)26;/h5-10,13,19,21H,2-4,11-12H2,1H3;1H/t19-,21-;/m0./s1