N-(3-morpholin-4-ium-4-ylpropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethanamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethanamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]acetamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]acetamide Formula: C16H23N6O2+ MolecularWeight: 331.39282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CC2=NC(=NN2)C3=CC=NC=C3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CC2=NC(=NN2)C3=CC=NC=C3

InChI

InChI=1S/C16H22N6O2/c23-15(18-4-1-7-22-8-10-24-11-9-22)12-14-19-16(21-20-14)13-2-5-17-6-3-13/h2-3,5-6H,1,4,7-12H2,(H,18,23)(H,19,20,21)/p+1