2-[1-pentyl-3-(3-phenylpropyl)-1,2,4-triazol-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-pentyl-3-(3-phenylpropyl)-1,2,4-triazol-1-ium-1-yl]ethanamide Openeye Name: 2-[1-pentyl-3-(3-phenylpropyl)-1,2,4-triazol-1-ium-1-yl]acetamide CAS Name: 2-[1-pentyl-3-(3-phenylpropyl)-1,2,4-triazol-1-ium-1-yl]acetamide IUPAC Name: 2-[1-pentyl-3-(3-phenylpropyl)-1,2,4-triazol-1-ium-1-yl]acetamide Traditional Name: 2-[1-amyl-3-(3-phenylpropyl)-1,2,4-triazol-1-ium-1-yl]acetamide Formula: C18H27N4O+ MolecularWeight: 315.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(C=NC(=N1)CCCC2=CC=CC=C2)CC(=O)N

Isomeric SMILES

CCCCC[N+]1(C=NC(=N1)CCCC2=CC=CC=C2)CC(=O)N

InChI

InChI=1S/C18H26N4O/c1-2-3-7-13-22(14-17(19)23)15-20-18(21-22)12-8-11-16-9-5-4-6-10-16/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3,(H-,19,23)/p+1