methyl 2-[2-(3-methylimidazol-3-ium-1-yl)ethanoylamino]benzoate bromide

Systemtic Name: methyl 2-[2-(3-methylimidazol-3-ium-1-yl)ethanoylamino]benzoate bromide Openeye Name: methyl 2-[[2-(3-methylimidazol-3-ium-1-yl)acetyl]amino]benzoate bromide CAS Name: 2-[[2-(3-methyl-1-imidazol-3-iumyl)-1-oxoethyl]amino]benzoic acid methyl ester bromide IUPAC Name: methyl 2-[[2-(3-methylimidazol-3-ium-1-yl)acetyl]amino]benzoate bromide Traditional Name: 2-[[2-(3-methylimidazol-3-ium-1-yl)acetyl]amino]benzoic acid methyl ester bromide Formula: C14H16BrN3O3 MolecularWeight: 354.19914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(=O)NC2=CC=CC=C2C(=O)OC.[Br-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC(=O)NC2=CC=CC=C2C(=O)OC.[Br-]

InChI

InChI=1S/C14H15N3O3.BrH/c1-16-7-8-17(10-16)9-13(18)15-12-6-4-3-5-11(12)14(19)20-2;/h3-8,10H,9H2,1-2H3;1H