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

Systemtic Name: 2-(2,4-dichlorophenyl)-3-(4-iodophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-3,4-dihydropyrazole-5-carboxamide Openeye Name: 2-(2,4-dichlorophenyl)-3-(4-iodophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-3,4-dihydropyrazole-5-carboxamide CAS Name: 2-(2,4-dichlorophenyl)-3-(4-iodophenyl)-N-(1-methyl-1-piperidin-1-iumyl)-3,4-dihydropyrazole-5-carboxamide IUPAC Name: 2-(2,4-dichlorophenyl)-3-(4-iodophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-3,4-dihydropyrazole-5-carboxamide Traditional Name: 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-N-(1-methylpiperidin-1-ium-1-yl)-2-pyrazoline-3-carboxamide Formula: C22H24Cl2IN4O+ MolecularWeight: 558.26263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23Cl2IN4O/c1-29(11-3-2-4-12-29)27-22(30)19-14-21(15-5-8-17(25)9-6-15)28(26-19)20-10-7-16(23)13-18(20)24/h5-10,13,21H,2-4,11-12,14H2,1H3/p+1