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

Systemtic Name: ethyl 2-[2-(3-methylimidazol-3-ium-1-yl)ethanoylamino]benzoate bromide Openeye Name: ethyl 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 ethyl ester bromide IUPAC Name: ethyl 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 ethyl ester bromide Formula: C15H18BrN3O3 MolecularWeight: 368.22572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C=C[N+](=C2)C.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C=C[N+](=C2)C.[Br-]

InChI

InChI=1S/C15H17N3O3.BrH/c1-3-21-15(20)12-6-4-5-7-13(12)16-14(19)10-18-9-8-17(2)11-18;/h4-9,11H,3,10H2,1-2H3;1H