2-(4-azanyl-2,3-dimethyl-pyridin-1-ium-1-yl)-1-phenyl-ethanone bromide

Systemtic Name: 2-(4-azanyl-2,3-dimethyl-pyridin-1-ium-1-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(4-amino-2,3-dimethyl-pyridin-1-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 2-(4-amino-2,3-dimethyl-1-pyridin-1-iumyl)-1-phenylethanone bromide IUPAC Name: 2-(4-amino-2,3-dimethylpyridin-1-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-(4-amino-2,3-dimethyl-pyridin-1-ium-1-yl)-1-phenyl-ethanone bromide Formula: C15H17BrN2O MolecularWeight: 321.21228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1C)CC(=O)C2=CC=CC=C2)N.[Br-]

Isomeric SMILES

CC1=C(C=C[N+](=C1C)CC(=O)C2=CC=CC=C2)N.[Br-]

InChI

InChI=1S/C15H16N2O.BrH/c1-11-12(2)17(9-8-14(11)16)10-15(18)13-6-4-3-5-7-13;/h3-9,16H,10H2,1-2H3;1H