N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]acetamide CAS Name: N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]acetamide Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H32N4O/c1-19-9-11-24(12-10-19)30-21(3)26(20(2)28-30)27-25(31)18-29-15-13-23(14-16-29)17-22-7-5-4-6-8-22/h4-12,23H,13-18H2,1-3H3,(H,27,31)/p+1