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

Systemtic Name: 2-(5-methyl-1-pentyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)ethanamide hydrochloride Openeye Name: 2-(5-methyl-1-pentyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)acetamide hydrochloride CAS Name: 2-(5-methyl-1-pentyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)acetamide hydrochloride IUPAC Name: 2-(5-methyl-1-pentyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)acetamide hydrochloride Traditional Name: 2-(1-amyl-5-methyl-3-phenyl-1,2,4-triazol-1-ium-1-yl)acetamide hydrochloride Formula: C16H24ClN4O+ MolecularWeight: 323.84096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O.ClH/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);1H/p+1