(3S,4R)-3-(5-bromanylthiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-(1-methylpiperidin-1-ium-1-yl)-3,4-dihydropyrazole-5-carboxamide iodide

Systemtic Name: (3S,4R)-3-(5-bromanylthiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-(1-methylpiperidin-1-ium-1-yl)-3,4-dihydropyrazole-5-carboxamide iodide Openeye Name: (3S,4R)-3-(5-bromo-2-thienyl)-2-(2,4-dichlorophenyl)-4-methyl-N-(1-methylpiperidin-1-ium-1-yl)-3,4-dihydropyrazole-5-carboxamide iodide CAS Name: (3S,4R)-3-(5-bromo-2-thiophenyl)-2-(2,4-dichlorophenyl)-4-methyl-N-(1-methyl-1-piperidin-1-iumyl)-3,4-dihydropyrazole-5-carboxamide iodide IUPAC Name: (3S,4R)-3-(5-bromothiophen-2-yl)-2-(2,4-dichlorophenyl)-4-methyl-N-(1-methylpiperidin-1-ium-1-yl)-3,4-dihydropyrazole-5-carboxamide iodide Traditional Name: (4R,5S)-5-(5-bromo-2-thienyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(1-methylpiperidin-1-ium-1-yl)-2-pyrazoline-3-carboxamide iodide Formula: C21H24BrCl2IN4OS MolecularWeight: 658.22093

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(N=C1C(=O)N[N+]2(CCCCC2)C)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(S4)Br.[I-]

Isomeric SMILES

C[C@@H]1[C@H](N(N=C1C(=O)N[N+]2(CCCCC2)C)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(S4)Br.[I-]

InChI

InChI=1S/C21H23BrCl2N4OS.HI/c1-13-19(21(29)26-28(2)10-4-3-5-11-28)25-27(16-7-6-14(23)12-15(16)24)20(13)17-8-9-18(22)30-17;/h6-9,12-13,20H,3-5,10-11H2,1-2H3;1H/t13-,20-;/m0./s1