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

Systemtic Name: 5-methyl-2-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-methyl-2-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide CAS Name: 5-methyl-2-phenyl-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-triazolecarboxamide IUPAC Name: 5-methyl-2-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide Traditional Name: 5-methyl-2-phenyl-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]triazole-4-carboxamide Formula: C22H26N5O+ MolecularWeight: 376.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O/c1-17-21(25-27(24-17)20-11-3-2-4-12-20)22(28)23-15-18-9-5-6-10-19(18)16-26-13-7-8-14-26/h2-6,9-12H,7-8,13-16H2,1H3,(H,23,28)/p+1