1-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide

Systemtic Name: 1-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Openeye Name: 1-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide CAS Name: 1-phenyl-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Traditional Name: 1-phenyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Formula: C19H27N4O+ MolecularWeight: 327.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C19H26N4O/c1-18(2)10-15(11-19(3,4)22-18)21-17(24)14-12-20-23(13-14)16-8-6-5-7-9-16/h5-9,12-13,15,22H,10-11H2,1-4H3,(H,21,24)/p+1