5-(3-methoxyphenyl)-2-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 5-(3-methoxyphenyl)-2-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 5-(3-methoxyphenyl)-2-(m-tolyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 5-(3-methoxyphenyl)-2-(3-methylphenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 5-(3-methoxyphenyl)-2-(3-methylphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 5-(3-methoxyphenyl)-2-(m-tolyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC(=CC=C3)OC)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC(=CC=C3)OC)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C25H30N4O2/c1-19-8-6-10-21(16-19)29-24(25(30)26-12-15-28-13-4-3-5-14-28)18-23(27-29)20-9-7-11-22(17-20)31-2/h6-11,16-18H,3-5,12-15H2,1-2H3,(H,26,30)/p+1