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

Systemtic Name: 2-[1-ethyl-3-(phenylmethyl)-1,2,4-triazol-1-ium-1-yl]ethanamide hydrochloride Openeye Name: 2-(3-benzyl-1-ethyl-1,2,4-triazol-1-ium-1-yl)acetamide hydrochloride CAS Name: 2-[1-ethyl-3-(phenylmethyl)-1,2,4-triazol-1-ium-1-yl]acetamide hydrochloride IUPAC Name: 2-(3-benzyl-1-ethyl-1,2,4-triazol-1-ium-1-yl)acetamide hydrochloride Traditional Name: 2-(3-benzyl-1-ethyl-1,2,4-triazol-1-ium-1-yl)acetamide hydrochloride Formula: C13H18ClN4O+ MolecularWeight: 281.76122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O.ClH/c1-2-17(9-12(14)18)10-15-13(16-17)8-11-6-4-3-5-7-11;/h3-7,10H,2,8-9H2,1H3,(H-,14,18);1H/p+1