3-(4-chlorophenyl)-1-phenyl-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-1-phenyl-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Openeye Name: 3-(4-chlorophenyl)-1-phenyl-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide CAS Name: 3-(4-chlorophenyl)-1-phenyl-N-(1-propyl-4-piperidin-1-iumyl)-4-pyrazolecarboxamide IUPAC Name: 3-(4-chlorophenyl)-1-phenyl-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Traditional Name: 3-(4-chlorophenyl)-1-phenyl-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Formula: C24H28ClN4O+ MolecularWeight: 423.95832

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H27ClN4O/c1-2-14-28-15-12-20(13-16-28)26-24(30)22-17-29(21-6-4-3-5-7-21)27-23(22)18-8-10-19(25)11-9-18/h3-11,17,20H,2,12-16H2,1H3,(H,26,30)/p+1