1-(diphenylmethyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(diphenylmethyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzhydryl-N-(3-morpholin-4-ium-4-ylpropyl)triazole-4-carboxamide CAS Name: 1-(diphenylmethyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-triazolecarboxamide IUPAC Name: 1-benzhydryl-N-(3-morpholin-4-ium-4-ylpropyl)triazole-4-carboxamide Traditional Name: 1-benzhydryl-N-(3-morpholin-4-ium-4-ylpropyl)triazole-4-carboxamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CN(N=N2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CN(N=N2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c29-23(24-12-7-13-27-14-16-30-17-15-27)21-18-28(26-25-21)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,18,22H,7,12-17H2,(H,24,29)/p+1