methyl 5-cyano-2-methyl-6-piperidin-1-yl-pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 5-cyano-2-methyl-6-piperidin-1-yl-pyridin-1-ium-3-carboxylate Openeye Name: methyl 5-cyano-2-methyl-6-(1-piperidyl)pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(1-piperidinyl)-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-methyl-6-piperidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-piperidino-pyridin-1-ium-3-carboxylic acid methyl ester Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=[NH+]1)N2CCCCC2)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C(=[NH+]1)N2CCCCC2)C#N)C(=O)OC

InChI

InChI=1S/C14H17N3O2/c1-10-12(14(18)19-2)8-11(9-15)13(16-10)17-6-4-3-5-7-17/h8H,3-7H2,1-2H3/p+1