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

Systemtic Name: 5-cyano-4-methyl-6-oxidanylidene-1-(3-oxidanylpropyl)-3-(piperidin-1-ium-1-ylmethyl)pyridin-2-olate Openeye Name: 5-cyano-1-(3-hydroxypropyl)-4-methyl-6-oxo-3-(piperidin-1-ium-1-ylmethyl)pyridin-2-olate CAS Name: 5-cyano-1-(3-hydroxypropyl)-4-methyl-6-oxo-3-(1-piperidin-1-iumylmethyl)-2-pyridinolate IUPAC Name: 5-cyano-1-(3-hydroxypropyl)-4-methyl-6-oxo-3-(piperidin-1-ium-1-ylmethyl)pyridin-2-olate Traditional Name: 5-cyano-1-(3-hydroxypropyl)-6-keto-4-methyl-3-(piperidin-1-ium-1-ylmethyl)pyridin-2-olate Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-12-13(10-17)15(21)19(8-5-9-20)16(22)14(12)11-18-6-3-2-4-7-18/h20,22H,2-9,11H2,1H3