5-cyano-1-(2-hydroxyethyl)-4-methyl-6-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)pyridin-2-olate

Systemtic Name: 5-cyano-1-(2-hydroxyethyl)-4-methyl-6-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)pyridin-2-olate Openeye Name: 5-cyano-1-(2-hydroxyethyl)-4-methyl-6-oxo-3-(piperidin-1-ium-1-ylmethyl)pyridin-2-olate CAS Name: 5-cyano-1-(2-hydroxyethyl)-4-methyl-6-oxo-3-(1-piperidin-1-iumylmethyl)-2-pyridinolate IUPAC Name: 5-cyano-1-(2-hydroxyethyl)-4-methyl-6-oxo-3-(piperidin-1-ium-1-ylmethyl)pyridin-2-olate Traditional Name: 5-cyano-1-(2-hydroxyethyl)-6-keto-4-methyl-3-(piperidin-1-ium-1-ylmethyl)pyridin-2-olate Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C[NH+]2CCCCC2)[O-])CCO)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C[NH+]2CCCCC2)[O-])CCO)C#N

InChI

InChI=1S/C15H21N3O3/c1-11-12(9-16)14(20)18(7-8-19)15(21)13(11)10-17-5-3-2-4-6-17/h19,21H,2-8,10H2,1H3