ethyl 1-[6-azanyl-3,5-dicyano-4-(cyanomethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-azanyl-3,5-dicyano-4-(cyanomethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-amino-3,5-dicyano-4-(cyanomethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate CAS Name: 1-[6-amino-3,5-dicyano-4-(cyanomethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-amino-3,5-dicyano-4-(cyanomethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Traditional Name: 1-[6-amino-3,5-dicyano-4-(cyanomethyl)pyridin-1-ium-2-yl]isonipecotic acid ethyl ester Formula: C17H19N6O2+ MolecularWeight: 339.37176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N

InChI

InChI=1S/C17H18N6O2/c1-2-25-17(24)11-4-7-23(8-5-11)16-14(10-20)12(3-6-18)13(9-19)15(21)22-16/h11H,2-5,7-8H2,1H3,(H2,21,22)/p+1