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

Systemtic Name: 2-(3-methylphenyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(m-tolyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(3-methylphenyl)-5-phenyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(3-methylphenyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(m-tolyl)-5-phenyl-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(=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)C(=O)NCC[NH+]4CCCC4

Isomeric SMILES

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

InChI

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