2-(5-azanylidene-1,3-dimethyl-4H-1,2,4-triazol-4-ium-4-yl)ethanoate chloride

Systemtic Name: 2-(5-azanylidene-1,3-dimethyl-4H-1,2,4-triazol-4-ium-4-yl)ethanoate chloride Openeye Name: 2-(5-imino-1,3-dimethyl-4H-1,2,4-triazol-4-ium-4-yl)acetate chloride CAS Name: 2-(5-imino-1,3-dimethyl-4H-1,2,4-triazol-4-ium-4-yl)acetate chloride IUPAC Name: 2-(5-imino-1,3-dimethyl-4H-1,2,4-triazol-4-ium-4-yl)acetate chloride Traditional Name: 2-(5-imino-1,3-dimethyl-4H-1,2,4-triazol-4-ium-4-yl)acetate chloride Formula: C6H10ClN4O2- MolecularWeight: 205.6222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N)[NH+]1CC(=O)[O-])C.[Cl-]

Isomeric SMILES

CC1=NN(C(=N)[NH+]1CC(=O)[O-])C.[Cl-]

InChI

InChI=1S/C6H10N4O2.ClH/c1-4-8-9(2)6(7)10(4)3-5(11)12;/h7H,3H2,1-2H3,(H,11,12);1H/p-1