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

Systemtic Name: 5-cyano-4-methyl-6-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)-1-prop-2-enyl-pyridin-2-olate Openeye Name: 1-allyl-5-cyano-4-methyl-6-oxo-3-(piperidin-1-ium-1-ylmethyl)pyridin-2-olate CAS Name: 5-cyano-4-methyl-6-oxo-3-(1-piperidin-1-iumylmethyl)-1-prop-2-enyl-2-pyridinolate IUPAC Name: 5-cyano-4-methyl-6-oxo-3-(piperidin-1-ium-1-ylmethyl)-1-prop-2-enylpyridin-2-olate Traditional Name: 1-allyl-5-cyano-6-keto-4-methyl-3-(piperidin-1-ium-1-ylmethyl)pyridin-2-olate Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2/c1-3-7-19-15(20)13(10-17)12(2)14(16(19)21)11-18-8-5-4-6-9-18/h3,21H,1,4-9,11H2,2H3