6-methyl-4-(phenylmethyl)-1H-pyrazin-4-ium-2-one bromide

Systemtic Name: 6-methyl-4-(phenylmethyl)-1H-pyrazin-4-ium-2-one bromide Openeye Name: 4-benzyl-6-methyl-1H-pyrazin-4-ium-2-one bromide CAS Name: 6-methyl-4-(phenylmethyl)-1H-pyrazin-4-ium-2-one bromide IUPAC Name: 4-benzyl-6-methyl-1H-pyrazin-4-ium-2-one bromide Traditional Name: 4-benzyl-6-methyl-1H-pyrazin-4-ium-2-one bromide Formula: C12H13BrN2O MolecularWeight: 281.14842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC(=O)N1)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CC1=C[N+](=CC(=O)N1)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C12H12N2O.BrH/c1-10-7-14(9-12(15)13-10)8-11-5-3-2-4-6-11;/h2-7,9H,8H2,1H3;1H