2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone bromide

Systemtic Name: 2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenylethanone bromide IUPAC Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-phenyl-ethanone bromide Formula: C12H15BrN4O MolecularWeight: 311.1777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[N+]1N)C)CC(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CC1=NN(C(=[N+]1N)C)CC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C12H15N4O.BrH/c1-9-14-15(10(2)16(9)13)8-12(17)11-6-4-3-5-7-11;/h3-7H,8,13H2,1-2H3;1H/q+1;/p-1