N-(1-methylpiperidin-1-ium-4-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(1-methylpiperidin-1-ium-4-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-isopropylphenoxy)methyl]-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide CAS Name: N-(1-methyl-4-piperidin-1-iumyl)-1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-methylpiperidin-1-ium-4-yl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-isopropylphenoxy)methyl]-N-(1-methylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O2/c1-15(2)16-4-6-18(7-5-16)26-14-24-13-10-19(22-24)20(25)21-17-8-11-23(3)12-9-17/h4-7,10,13,15,17H,8-9,11-12,14H2,1-3H3,(H,21,25)/p+1