1-(4-bromophenyl)-2-[3,5-dimethyl-4-(phenylmethyl)-1,2,4-triazol-4-ium-1-yl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[3,5-dimethyl-4-(phenylmethyl)-1,2,4-triazol-4-ium-1-yl]ethanone Openeye Name: 2-(4-benzyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)ethanone CAS Name: 1-(4-bromophenyl)-2-[3,5-dimethyl-4-(phenylmethyl)-1,2,4-triazol-4-ium-1-yl]ethanone IUPAC Name: 2-(4-benzyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)ethanone Traditional Name: 2-(4-benzyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)ethanone Formula: C19H19BrN3O+ MolecularWeight: 385.27766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[N+]1CC2=CC=CC=C2)C)CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN(C(=[N+]1CC2=CC=CC=C2)C)CC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN3O/c1-14-21-23(13-19(24)17-8-10-18(20)11-9-17)15(2)22(14)12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3/q+1