1-(4-azanyl-1,2,4-triazol-4-ium-1-yl)-3,3-dimethyl-butan-2-one chloride

Systemtic Name: 1-(4-azanyl-1,2,4-triazol-4-ium-1-yl)-3,3-dimethyl-butan-2-one chloride Openeye Name: 1-(4-amino-1,2,4-triazol-4-ium-1-yl)-3,3-dimethyl-butan-2-one chloride CAS Name: 1-(4-amino-1,2,4-triazol-4-ium-1-yl)-3,3-dimethyl-2-butanone chloride IUPAC Name: 1-(4-amino-1,2,4-triazol-4-ium-1-yl)-3,3-dimethylbutan-2-one chloride Traditional Name: 1-(4-amino-1,2,4-triazol-4-ium-1-yl)-3,3-dimethyl-butan-2-one chloride Formula: C8H15ClN4O MolecularWeight: 218.6839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15N4O.ClH/c1-8(2,3)7(13)4-12-6-11(9)5-10-12;/h5-6H,4,9H2,1-3H3;1H/q+1;/p-1