azanium 3-chloranyl-2-propan-2-yl-1H-1,2,4-triazol-5-one

Systemtic Name: azanium 3-chloranyl-2-propan-2-yl-1H-1,2,4-triazol-5-one Openeye Name: ammonium 3-chloro-2-isopropyl-1H-1,2,4-triazol-5-one CAS Name: ammonium 3-chloro-2-propan-2-yl-1H-1,2,4-triazol-5-one IUPAC Name: azanium 3-chloro-2-propan-2-yl-1H-1,2,4-triazol-5-one Traditional Name: ammonium 3-chloro-2-isopropyl-1H-1,2,4-triazol-5-one Formula: C5H12ClN4O+ MolecularWeight: 179.62798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC(=O)N1)Cl.[NH4+]

Isomeric SMILES

CC(C)N1C(=NC(=O)N1)Cl.[NH4+]

InChI

InChI=1S/C5H8ClN3O.H3N/c1-3(2)9-4(6)7-5(10)8-9;/h3H,1-2H3,(H,8,10);1H3/p+1