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

Systemtic Name: 1-(4-bromophenyl)-2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)ethanone Openeye Name: 1-(4-bromophenyl)-2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)ethanone CAS Name: 1-(4-bromophenyl)-2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)ethanone IUPAC Name: 1-(4-bromophenyl)-2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)ethanone Traditional Name: 1-(4-bromophenyl)-2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)ethanone Formula: C18H17BrN3O+ MolecularWeight: 371.25108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN3O/c1-13-20-22(17-6-4-3-5-7-17)14(2)21(13)12-18(23)15-8-10-16(19)11-9-15/h3-11H,12H2,1-2H3/q+1