1,3-diphenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide

Systemtic Name: 1,3-diphenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: 1,3-diphenyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)-4-pyrazolecarboxamide IUPAC Name: 1,3-diphenyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1,3-diphenyl-pyrazole-4-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O/c1-18(2)27-15-13-20(14-16-27)25-24(29)22-17-28(21-11-7-4-8-12-21)26-23(22)19-9-5-3-6-10-19/h3-12,17-18,20H,13-16H2,1-2H3,(H,25,29)/p+1