N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-triazole-4-carboxamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-phenyltriazole-4-carboxamide Traditional Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-triazole-4-carboxamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=NN(N=C2)C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)C2=NN(N=C2)C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C22H25N5O2/c1-29-21-12-6-5-11-18(21)20(26-13-7-8-14-26)16-23-22(28)19-15-24-27(25-19)17-9-3-2-4-10-17/h2-6,9-12,15,20H,7-8,13-14,16H2,1H3,(H,23,28)/p+1/t20-/m0/s1