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

Systemtic Name: 2-(3-chlorophenyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(3-chlorophenyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(3-chlorophenyl)-5-phenyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(3-chlorophenyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(3-chlorophenyl)-5-phenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C22H24ClN4O+ MolecularWeight: 395.90516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)C2=CC(=NN2C3=CC(=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C2=CC(=NN2C3=CC(=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H23ClN4O/c23-18-9-6-10-19(15-18)27-21(16-20(25-27)17-7-2-1-3-8-17)22(28)24-11-14-26-12-4-5-13-26/h1-3,6-10,15-16H,4-5,11-14H2,(H,24,28)/p+1