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

Systemtic Name: 1-[(2,5-dimethylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Openeye Name: 1-[(2,5-dimethylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide CAS Name: 1-[(2,5-dimethylphenoxy)methyl]-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2,5-dimethylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Traditional Name: 1-[(2,5-dimethylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O2/c1-15-7-8-16(2)19(11-15)28-14-26-10-9-18(24-26)20(27)23-17-12-21(3,4)25-22(5,6)13-17/h7-11,17,25H,12-14H2,1-6H3,(H,23,27)/p+1