1-(4-azanyl-1,2,4-triazol-4-ium-1-yl)propan-2-one chloride

Systemtic Name: 1-(4-azanyl-1,2,4-triazol-4-ium-1-yl)propan-2-one chloride Openeye Name: 1-(4-amino-1,2,4-triazol-4-ium-1-yl)propan-2-one chloride CAS Name: 1-(4-amino-1,2,4-triazol-4-ium-1-yl)-2-propanone chloride IUPAC Name: 1-(4-amino-1,2,4-triazol-4-ium-1-yl)propan-2-one chloride Traditional Name: 1-(4-amino-1,2,4-triazol-4-ium-1-yl)acetone chloride Formula: C5H9ClN4O MolecularWeight: 176.60416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=[N+](C=N1)N.[Cl-]

Isomeric SMILES

CC(=O)CN1C=[N+](C=N1)N.[Cl-]

InChI

InChI=1S/C5H9N4O.ClH/c1-5(10)2-9-4-8(6)3-7-9;/h3-4H,2,6H2,1H3;1H/q+1;/p-1