ethyl 2-[(3-aminocarbonylpyridin-1-ium-1-yl)methyl]benzoate bromide

Systemtic Name: ethyl 2-[(3-aminocarbonylpyridin-1-ium-1-yl)methyl]benzoate bromide Openeye Name: ethyl 2-[(3-carbamoylpyridin-1-ium-1-yl)methyl]benzoate bromide CAS Name: 2-[(3-carbamoyl-1-pyridin-1-iumyl)methyl]benzoic acid ethyl ester bromide IUPAC Name: ethyl 2-[(3-carbamoylpyridin-1-ium-1-yl)methyl]benzoate bromide Traditional Name: 2-[(3-carbamoylpyridin-1-ium-1-yl)methyl]benzoic acid ethyl ester bromide Formula: C16H17BrN2O3 MolecularWeight: 365.22178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C[N+]2=CC=CC(=C2)C(=O)N.[Br-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C[N+]2=CC=CC(=C2)C(=O)N.[Br-]

InChI

InChI=1S/C16H16N2O3.BrH/c1-2-21-16(20)14-8-4-3-6-12(14)10-18-9-5-7-13(11-18)15(17)19;/h3-9,11H,2,10H2,1H3,(H-,17,19);1H