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

Systemtic Name: 1-(4-bromophenyl)-2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)propan-1-one Openeye Name: 1-(4-bromophenyl)-2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)propan-1-one CAS Name: 1-(4-bromophenyl)-2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)propan-1-one Traditional Name: 1-(4-bromophenyl)-2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)propan-1-one Formula: C19H19BrN3O+ MolecularWeight: 385.27766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN3O/c1-13(19(24)16-9-11-17(20)12-10-16)22-14(2)21-23(15(22)3)18-7-5-4-6-8-18/h4-13H,1-3H3/q+1