2-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 2-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 2-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide CAS Name: 2-phenyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-triazolecarboxamide IUPAC Name: 2-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide Traditional Name: 2-phenyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]triazole-4-carboxamide Formula: C21H24N5O+ MolecularWeight: 362.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=NN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=NN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O/c27-21(20-15-23-26(24-20)19-10-2-1-3-11-19)22-14-17-8-4-5-9-18(17)16-25-12-6-7-13-25/h1-5,8-11,15H,6-7,12-14,16H2,(H,22,27)/p+1