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

Systemtic Name: 2-(5-azanyl-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)ethanone Openeye Name: 2-(5-amino-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)ethanone CAS Name: 2-(5-amino-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)ethanone IUPAC Name: 2-(5-amino-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)ethanone Traditional Name: 2-(5-amino-3,4-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)ethanone Formula: C12H14BrN4O+ MolecularWeight: 310.16976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN4O/c1-8-15-17(12(14)16(8)2)7-11(18)9-3-5-10(13)6-4-9/h3-6,14H,7H2,1-2H3/p+1