4-[(4-chloranylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 4-[(4-chloranylpyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Openeye Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide CAS Name: 4-[(4-chloro-1-pyrazolyl)methyl]-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Traditional Name: 4-[(4-chloropyrazol-1-yl)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Formula: C20H28ClN4O+ MolecularWeight: 375.91552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Cl)C

InChI

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