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

Systemtic Name: 2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Openeye Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide CAS Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide IUPAC Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Traditional Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-chlorophenyl)ethanone bromide Formula: C12H14BrClN4O MolecularWeight: 345.62276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN4O.BrH/c1-8-15-16(9(2)17(8)14)7-12(18)10-3-5-11(13)6-4-10;/h3-6H,7,14H2,1-2H3;1H/q+1;/p-1