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

Systemtic Name: 2-(4-azanyl-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)propan-1-one Openeye Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)propan-1-one CAS Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)-1-propanone IUPAC Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)propan-1-one Traditional Name: 2-(4-amino-3,5-dimethyl-1,2,4-triazol-4-ium-1-yl)-1-(4-bromophenyl)propan-1-one Formula: C13H16BrN4O+ MolecularWeight: 324.19634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN4O/c1-8(18-10(3)17(15)9(2)16-18)13(19)11-4-6-12(14)7-5-11/h4-8H,15H2,1-3H3/q+1