N-[3-[2-(3-methylimidazol-3-ium-1-yl)ethanoyl]phenyl]ethanamide bromide

Systemtic Name: N-[3-[2-(3-methylimidazol-3-ium-1-yl)ethanoyl]phenyl]ethanamide bromide Openeye Name: N-[3-[2-(3-methylimidazol-3-ium-1-yl)acetyl]phenyl]acetamide bromide CAS Name: N-[3-[2-(3-methyl-1-imidazol-3-iumyl)-1-oxoethyl]phenyl]acetamide bromide IUPAC Name: N-[3-[2-(3-methylimidazol-3-ium-1-yl)acetyl]phenyl]acetamide bromide Traditional Name: N-[3-[2-(3-methylimidazol-3-ium-1-yl)acetyl]phenyl]acetamide bromide Formula: C14H16BrN3O2 MolecularWeight: 338.19974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)CN2C=C[N+](=C2)C.[Br-]

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)CN2C=C[N+](=C2)C.[Br-]

InChI

InChI=1S/C14H15N3O2.BrH/c1-11(18)15-13-5-3-4-12(8-13)14(19)9-17-7-6-16(2)10-17;/h3-8,10H,9H2,1-2H3;1H