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

Systemtic Name: 1-(1-methyl-1,2,4-triazol-4-ium-4-yl)propan-2-one chloride Openeye Name: 1-(1-methyl-1,2,4-triazol-4-ium-4-yl)propan-2-one chloride CAS Name: 1-(1-methyl-1,2,4-triazol-4-ium-4-yl)-2-propanone chloride IUPAC Name: 1-(1-methyl-1,2,4-triazol-4-ium-4-yl)propan-2-one chloride Traditional Name: 1-(1-methyl-1,2,4-triazol-4-ium-4-yl)acetone chloride Formula: C6H10ClN3O MolecularWeight: 175.6161

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=CN(N=C1)C.[Cl-]

Isomeric SMILES

CC(=O)C[N+]1=CN(N=C1)C.[Cl-]

InChI

InChI=1S/C6H10N3O.ClH/c1-6(10)3-9-4-7-8(2)5-9;/h4-5H,3H2,1-2H3;1H/q+1;/p-1