4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Openeye Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)benzamide Formula: C21H30ClN4O+ MolecularWeight: 389.9421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C)C)Cl

InChI

InChI=1S/C21H29ClN4O/c1-13-18(22)14(2)26(24-13)17-9-7-15(8-10-17)19(27)23-16-11-20(3,4)25-21(5,6)12-16/h7-10,16,25H,11-12H2,1-6H3,(H,23,27)/p+1