1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Openeye Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide CAS Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(1-methyl-4-piperidin-1-iumyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Formula: C19H26ClN4O2+ MolecularWeight: 377.88834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NC3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCN2C=CC(=N2)C(=O)NC3CC[NH+](CC3)C

InChI

InChI=1S/C19H25ClN4O2/c1-13-10-16(11-14(2)18(13)20)26-12-24-9-6-17(22-24)19(25)21-15-4-7-23(3)8-5-15/h6,9-11,15H,4-5,7-8,12H2,1-3H3,(H,21,25)/p+1