5-(4-chlorophenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide CAS Name: 5-(4-chlorophenyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide IUPAC Name: 5-(4-chlorophenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-1H-pyrazole-4-carboxamide Formula: C22H24ClN4O+ MolecularWeight: 395.90516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3=C(NN=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN4O/c23-19-9-7-18(8-10-19)21-20(14-25-26-21)22(28)24-13-16-3-5-17(6-4-16)15-27-11-1-2-12-27/h3-10,14H,1-2,11-13,15H2,(H,24,28)(H,25,26)/p+1