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

Systemtic Name: ethyl 2-[(3-aminocarbonylpyridin-1-ium-1-yl)methyl]benzoate Openeye Name: ethyl 2-[(3-carbamoylpyridin-1-ium-1-yl)methyl]benzoate CAS Name: 2-[(3-carbamoyl-1-pyridin-1-iumyl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(3-carbamoylpyridin-1-ium-1-yl)methyl]benzoate Traditional Name: 2-[(3-carbamoylpyridin-1-ium-1-yl)methyl]benzoic acid ethyl ester Formula: C16H17N2O3+ MolecularWeight: 285.31778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3/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)/p+1