ethyl 6-aminocarbonyl-1-(phenylmethyl)pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-aminocarbonyl-1-(phenylmethyl)pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-benzyl-6-carbamoyl-pyridin-1-ium-3-carboxylate CAS Name: 6-carbamoyl-1-(phenylmethyl)-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-carbamoylpyridin-1-ium-3-carboxylate Traditional Name: 1-benzyl-6-carbamoyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C16H17N2O3+ MolecularWeight: 285.31778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=C(C=C1)C(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C[N+](=C(C=C1)C(=O)N)CC2=CC=CC=C2

InChI

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