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

Systemtic Name: [(3-aminocarbonylpyridin-1-ium-1-yl)-phenyl-methyl] benzoate bromide Openeye Name: [(3-carbamoylpyridin-1-ium-1-yl)-phenyl-methyl] benzoate bromide CAS Name: benzoic acid [(3-carbamoyl-1-pyridin-1-iumyl)-phenylmethyl] ester bromide IUPAC Name: [(3-carbamoylpyridin-1-ium-1-yl)-phenylmethyl] benzoate bromide Traditional Name: benzoic acid [(3-carbamoylpyridin-1-ium-1-yl)-phenyl-methyl] ester bromide Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C([N+]2=CC=CC(=C2)C(=O)N)OC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C([N+]2=CC=CC(=C2)C(=O)N)OC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H16N2O3.BrH/c21-18(23)17-12-7-13-22(14-17)19(15-8-3-1-4-9-15)25-20(24)16-10-5-2-6-11-16;/h1-14,19H,(H-,21,23);1H