(E)-2-azanyl-2-methyl-6-(3-methyl-5-oxidanylidene-1H-1,2,4-triazol-4-yl)hex-4-enoic acid hydrochloride

Systemtic Name: (E)-2-azanyl-2-methyl-6-(3-methyl-5-oxidanylidene-1H-1,2,4-triazol-4-yl)hex-4-enoic acid hydrochloride Openeye Name: (E)-2-amino-2-methyl-6-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)hex-4-enoic acid hydrochloride CAS Name: (E)-2-amino-2-methyl-6-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)-4-hexenoic acid hydrochloride IUPAC Name: (E)-2-amino-2-methyl-6-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)hex-4-enoic acid hydrochloride Traditional Name: (E)-2-amino-6-(5-keto-3-methyl-1H-1,2,4-triazol-4-yl)-2-methyl-hex-4-enoic acid hydrochloride Formula: C10H17ClN4O3 MolecularWeight: 276.71998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)N1CC=CCC(C)(C(=O)O)N.Cl

Isomeric SMILES

CC1=NNC(=O)N1C/C=C/CC(C)(C(=O)O)N.Cl

InChI

InChI=1S/C10H16N4O3.ClH/c1-7-12-13-9(17)14(7)6-4-3-5-10(2,11)8(15)16;/h3-4H,5-6,11H2,1-2H3,(H,13,17)(H,15,16);1H/b4-3+;