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

Systemtic Name: 1-(4-bromophenyl)-2-(1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)propan-1-one Openeye Name: 1-(4-bromophenyl)-2-(1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)propan-1-one CAS Name: 1-(4-bromophenyl)-2-(1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-(1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)propan-1-one Traditional Name: 1-(4-bromophenyl)-2-(1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)propan-1-one Formula: C14H17BrN3O+ MolecularWeight: 323.20828

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN3O/c1-9(18-10(2)16-17(4)11(18)3)14(19)12-5-7-13(15)8-6-12/h5-9H,1-4H3/q+1