methyl 4-[(3-aminocarbonylpyridin-1-ium-1-yl)methyl]benzoate bromide

Systemtic Name: methyl 4-[(3-aminocarbonylpyridin-1-ium-1-yl)methyl]benzoate bromide Openeye Name: methyl 4-[(3-carbamoylpyridin-1-ium-1-yl)methyl]benzoate bromide CAS Name: 4-[(3-carbamoyl-1-pyridin-1-iumyl)methyl]benzoic acid methyl ester bromide IUPAC Name: methyl 4-[(3-carbamoylpyridin-1-ium-1-yl)methyl]benzoate bromide Traditional Name: 4-[(3-carbamoylpyridin-1-ium-1-yl)methyl]benzoic acid methyl ester bromide Formula: C15H15BrN2O3 MolecularWeight: 352.188609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[15N+]2=CC=CC(=C2)C(=O)N.[Br-]

InChI

InChI=1S/C15H14N2O3.BrH/c1-20-15(19)12-6-4-11(5-7-12)9-17-8-2-3-13(10-17)14(16)18;/h2-8,10H,9H2,1H3,(H-,16,18);1H/i17+1;