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

Systemtic Name: 3-(4-bromanylthiophen-2-yl)-2-(2,4-dichlorophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-3,4-dihydropyrazole-5-carboxamide iodide Openeye Name: 3-(4-bromo-2-thienyl)-2-(2,4-dichlorophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-3,4-dihydropyrazole-5-carboxamide iodide CAS Name: 3-(4-bromo-2-thiophenyl)-2-(2,4-dichlorophenyl)-N-(1-methyl-1-piperidin-1-iumyl)-3,4-dihydropyrazole-5-carboxamide iodide IUPAC Name: 3-(4-bromothiophen-2-yl)-2-(2,4-dichlorophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-3,4-dihydropyrazole-5-carboxamide iodide Traditional Name: 5-(4-bromo-2-thienyl)-1-(2,4-dichlorophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-2-pyrazoline-3-carboxamide iodide Formula: C20H22BrCl2IN4OS MolecularWeight: 644.19435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)NC(=O)C2=NN(C(C2)C3=CC(=CS3)Br)C4=C(C=C(C=C4)Cl)Cl.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)NC(=O)C2=NN(C(C2)C3=CC(=CS3)Br)C4=C(C=C(C=C4)Cl)Cl.[I-]

InChI

InChI=1S/C20H21BrCl2N4OS.HI/c1-27(7-3-2-4-8-27)25-20(28)16-11-18(19-9-13(21)12-29-19)26(24-16)17-6-5-14(22)10-15(17)23;/h5-6,9-10,12,18H,2-4,7-8,11H2,1H3;1H