2-(4-methylphenyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 2-(4-methylphenyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 5-phenyl-2-(p-tolyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(4-methylphenyl)-5-phenyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(4-methylphenyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 5-phenyl-2-(p-tolyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C23H26N4O/c1-18-9-11-20(12-10-18)27-22(17-21(25-27)19-7-3-2-4-8-19)23(28)24-13-16-26-14-5-6-15-26/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,24,28)/p+1