1-ethyl-4-methyl-6-oxidanyl-2-oxidanylidene-5-(piperidin-1-ium-1-ylmethyl)pyridine-3-carbonitrile

Systemtic Name: 1-ethyl-4-methyl-6-oxidanyl-2-oxidanylidene-5-(piperidin-1-ium-1-ylmethyl)pyridine-3-carbonitrile Openeye Name: 1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ium-1-ylmethyl)pyridine-3-carbonitrile CAS Name: 1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(1-piperidin-1-iumylmethyl)-3-pyridinecarbonitrile IUPAC Name: 1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(piperidin-1-ium-1-ylmethyl)pyridine-3-carbonitrile Traditional Name: 1-ethyl-6-hydroxy-2-keto-4-methyl-5-(piperidin-1-ium-1-ylmethyl)nicotinonitrile Formula: C15H22N3O2+ MolecularWeight: 276.35408

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C(C1=O)C#N)C)C[NH+]2CCCCC2)O

Isomeric SMILES

CCN1C(=C(C(=C(C1=O)C#N)C)C[NH+]2CCCCC2)O

InChI

InChI=1S/C15H21N3O2/c1-3-18-14(19)12(9-16)11(2)13(15(18)20)10-17-7-5-4-6-8-17/h20H,3-8,10H2,1-2H3/p+1