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

Systemtic Name: 1-(4-bromophenyl)-2-(3,5-diethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanone Openeye Name: 1-(4-bromophenyl)-2-(3,5-diethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanone CAS Name: 1-(4-bromophenyl)-2-(3,5-diethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanone IUPAC Name: 1-(4-bromophenyl)-2-(3,5-diethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanone Traditional Name: 1-(4-bromophenyl)-2-(3,5-diethyl-4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanone Formula: C20H21BrN3O+ MolecularWeight: 399.30424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=[N+]1C2=CC=CC=C2)CC)CC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=NN(C(=[N+]1C2=CC=CC=C2)CC)CC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN3O/c1-3-19-22-23(14-18(25)15-10-12-16(21)13-11-15)20(4-2)24(19)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3/q+1