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

Systemtic Name: 1-(4-bromophenyl)-2-(1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)ethanone Openeye Name: 1-(4-bromophenyl)-2-(1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)ethanone CAS Name: 1-(4-bromophenyl)-2-(1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)ethanone IUPAC Name: 1-(4-bromophenyl)-2-(1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)ethanone Traditional Name: 1-(4-bromophenyl)-2-(1,3-dimethyl-1,2,4-triazol-4-ium-4-yl)ethanone Formula: C12H13BrN3O+ MolecularWeight: 295.15512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN3O/c1-9-14-15(2)8-16(9)7-12(17)10-3-5-11(13)6-4-10/h3-6,8H,7H2,1-2H3/q+1