2-[2-[(E)-2-(dimethylamino)ethenyl]-3-methyl-pyrazin-1-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[2-[(E)-2-(dimethylamino)ethenyl]-3-methyl-pyrazin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[2-[(E)-2-(dimethylamino)vinyl]-3-methyl-pyrazin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[2-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1-pyrazin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[2-[(E)-2-(dimethylamino)ethenyl]-3-methylpyrazin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[2-[(E)-2-(dimethylamino)vinyl]-3-methyl-pyrazin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C17H20BrN3O MolecularWeight: 362.2642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC=C[N+](=C1/C=C/N(C)C)CC(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C17H20N3O.BrH/c1-14-16(9-11-19(2)3)20(12-10-18-14)13-17(21)15-7-5-4-6-8-15;/h4-12H,13H2,1-3H3;1H/q+1;/p-1