1-[(2-chloranyl-5-methyl-phenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-5-methyl-phenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-5-methyl-phenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-5-methylphenoxy)methyl]-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-5-methylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-5-methyl-phenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Formula: C21H30ClN4O2+ MolecularWeight: 405.9415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCN2C=CC(=N2)C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCN2C=CC(=N2)C(=O)NC3CC([NH2+]C(C3)(C)C)(C)C

InChI

InChI=1S/C21H29ClN4O2/c1-14-6-7-16(22)18(10-14)28-13-26-9-8-17(24-26)19(27)23-15-11-20(2,3)25-21(4,5)12-15/h6-10,15,25H,11-13H2,1-5H3,(H,23,27)/p+1