1-[(2-chlorophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4-pyrazolecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-4-carboxamide Formula: C20H28ClN4O+ MolecularWeight: 375.91552

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C20H27ClN4O/c1-19(2)9-16(10-20(3,4)24-19)23-18(26)15-11-22-25(13-15)12-14-7-5-6-8-17(14)21/h5-8,11,13,16,24H,9-10,12H2,1-4H3,(H,23,26)/p+1