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

Systemtic Name: 1-[(2-chloranyl-5-methyl-phenoxy)methyl]-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Openeye Name: 1-[(2-chloro-5-methyl-phenoxy)methyl]-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide CAS Name: 1-[(2-chloro-5-methylphenoxy)methyl]-N-(1-methyl-4-piperidin-1-iumyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-chloro-5-methylphenoxy)methyl]-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Traditional Name: 1-[(2-chloro-5-methyl-phenoxy)methyl]-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Formula: C18H24ClN4O2+ MolecularWeight: 363.86176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCN2C=CC(=N2)C(=O)NC3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCN2C=CC(=N2)C(=O)NC3CC[NH+](CC3)C

InChI

InChI=1S/C18H23ClN4O2/c1-13-3-4-15(19)17(11-13)25-12-23-10-7-16(21-23)18(24)20-14-5-8-22(2)9-6-14/h3-4,7,10-11,14H,5-6,8-9,12H2,1-2H3,(H,20,24)/p+1