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

Systemtic Name: 2-(3-methylphenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(m-tolyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(3-methylphenyl)-5-phenyl-N-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(3-methylphenyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(m-tolyl)-5-phenyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O/c1-19-9-8-12-21(17-19)28-23(18-22(26-28)20-10-4-2-5-11-20)24(29)25-13-16-27-14-6-3-7-15-27/h2,4-5,8-12,17-18H,3,6-7,13-16H2,1H3,(H,25,29)/p+1