3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ium-1-yl-3,4-dihydropyrazole-5-carboxamide; naphthalene-2-sulfonate

Systemtic Name: 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ium-1-yl-3,4-dihydropyrazole-5-carboxamide; naphthalene-2-sulfonate Openeye Name: 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ium-1-yl-3,4-dihydropyrazole-5-carboxamide; naphthalene-2-sulfonate CAS Name: 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(1-piperidin-1-iumyl)-3,4-dihydropyrazole-5-carboxamide; 2-naphthalenesulfonate IUPAC Name: 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-ium-1-yl-3,4-dihydropyrazole-5-carboxamide; naphthalene-2-sulfonate Traditional Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ium-1-yl-2-pyrazoline-3-carboxamide; naphthalene-2-sulfonate Formula: C31H29Cl3N4O4S MolecularWeight: 660.01036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)NC(=O)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)NC(=O)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C21H21Cl3N4O.C10H8O3S/c22-15-6-4-14(5-7-15)20-13-18(21(29)26-27-10-2-1-3-11-27)25-28(20)19-9-8-16(23)12-17(19)24;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h4-9,12,20H,1-3,10-11,13H2,(H,26,29);1-7H,(H,11,12,13)