ethyl 2-(4-aminocarbonylpiperidin-1-yl)-3-cyano-6-methyl-pyridin-1-ium-4-carboxylate

Systemtic Name: ethyl 2-(4-aminocarbonylpiperidin-1-yl)-3-cyano-6-methyl-pyridin-1-ium-4-carboxylate Openeye Name: ethyl 2-(4-carbamoyl-1-piperidyl)-3-cyano-6-methyl-pyridin-1-ium-4-carboxylate CAS Name: 2-(4-carbamoyl-1-piperidinyl)-3-cyano-6-methyl-4-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-carbamoylpiperidin-1-yl)-3-cyano-6-methylpyridin-1-ium-4-carboxylate Traditional Name: 2-(4-carbamoylpiperidino)-3-cyano-6-methyl-pyridin-1-ium-4-carboxylic acid ethyl ester Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=[NH+]C(=C1C#N)N2CCC(CC2)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=CC(=[NH+]C(=C1C#N)N2CCC(CC2)C(=O)N)C

InChI

InChI=1S/C16H20N4O3/c1-3-23-16(22)12-8-10(2)19-15(13(12)9-17)20-6-4-11(5-7-20)14(18)21/h8,11H,3-7H2,1-2H3,(H2,18,21)/p+1