3-(2-methylphenyl)-1-phenyl-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide

Systemtic Name: 3-(2-methylphenyl)-1-phenyl-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Openeye Name: 3-(o-tolyl)-1-phenyl-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide CAS Name: 3-(2-methylphenyl)-1-phenyl-N-(1-propyl-4-piperidin-1-iumyl)-4-pyrazolecarboxamide IUPAC Name: 3-(2-methylphenyl)-1-phenyl-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Traditional Name: 3-(o-tolyl)-1-phenyl-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2=CN(N=C2C3=CC=CC=C3C)C4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C2=CN(N=C2C3=CC=CC=C3C)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O/c1-3-15-28-16-13-20(14-17-28)26-25(30)23-18-29(21-10-5-4-6-11-21)27-24(23)22-12-8-7-9-19(22)2/h4-12,18,20H,3,13-17H2,1-2H3,(H,26,30)/p+1