2-(5-methyl-1-pentyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)ethanamide

Systemtic Name: 2-(5-methyl-1-pentyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)ethanamide Openeye Name: 2-(5-methyl-1-pentyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)acetamide CAS Name: 2-(5-methyl-1-pentyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)acetamide IUPAC Name: 2-(5-methyl-1-pentyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)acetamide Traditional Name: 2-(1-amyl-5-methyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)acetamide Formula: C16H23N4O+ MolecularWeight: 287.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O/c1-3-4-8-11-20(12-15(17)21)13(2)18-16(19-20)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H-,17,21)/p+1