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

Systemtic Name: 2-[5-methyl-1-pentyl-3-(phenylmethyl)-1,2,4-triazol-1-ium-1-yl]ethanamide hydrochloride Openeye Name: 2-(3-benzyl-5-methyl-1-pentyl-1,2,4-triazol-1-ium-1-yl)acetamide hydrochloride CAS Name: 2-[5-methyl-1-pentyl-3-(phenylmethyl)-1,2,4-triazol-1-ium-1-yl]acetamide hydrochloride IUPAC Name: 2-(3-benzyl-5-methyl-1-pentyl-1,2,4-triazol-1-ium-1-yl)acetamide hydrochloride Traditional Name: 2-(1-amyl-3-benzyl-5-methyl-1,2,4-triazol-1-ium-1-yl)acetamide hydrochloride Formula: C17H26ClN4O+ MolecularWeight: 337.86754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(C(=NC(=N1)CC2=CC=CC=C2)C)CC(=O)N.Cl

Isomeric SMILES

CCCCC[N+]1(C(=NC(=N1)CC2=CC=CC=C2)C)CC(=O)N.Cl

InChI

InChI=1S/C17H24N4O.ClH/c1-3-4-8-11-21(13-16(18)22)14(2)19-17(20-21)12-15-9-6-5-7-10-15;/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H-,18,22);1H/p+1