3-(4-methylphenyl)-1-(phenylmethyl)-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide

Systemtic Name: 3-(4-methylphenyl)-1-(phenylmethyl)-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(1-propylpiperidin-1-ium-4-yl)-3-(p-tolyl)pyrazole-4-carboxamide CAS Name: 3-(4-methylphenyl)-1-(phenylmethyl)-N-(1-propyl-4-piperidin-1-iumyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(4-methylphenyl)-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(1-propylpiperidin-1-ium-4-yl)-3-(p-tolyl)pyrazole-4-carboxamide Formula: C26H33N4O+ MolecularWeight: 417.56642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O/c1-3-15-29-16-13-23(14-17-29)27-26(31)24-19-30(18-21-7-5-4-6-8-21)28-25(24)22-11-9-20(2)10-12-22/h4-12,19,23H,3,13-18H2,1-2H3,(H,27,31)/p+1