5-cyano-4-methyl-3-(1,3-oxazinan-3-ium-3-ylmethyl)-6-oxidanylidene-1-phenethyl-pyridin-2-olate

Systemtic Name: 5-cyano-4-methyl-3-(1,3-oxazinan-3-ium-3-ylmethyl)-6-oxidanylidene-1-phenethyl-pyridin-2-olate Openeye Name: 5-cyano-4-methyl-3-(1,3-oxazinan-3-ium-3-ylmethyl)-6-oxo-1-phenethyl-pyridin-2-olate CAS Name: 5-cyano-4-methyl-3-(1,3-oxazinan-3-ium-3-ylmethyl)-6-oxo-1-phenethyl-2-pyridinolate IUPAC Name: 5-cyano-4-methyl-3-(1,3-oxazinan-3-ium-3-ylmethyl)-6-oxo-1-phenethylpyridin-2-olate Traditional Name: 5-cyano-6-keto-4-methyl-3-(1,3-oxazinan-3-ium-3-ylmethyl)-1-phenethyl-pyridin-2-olate Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C[NH+]2CCCOC2)[O-])CCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C[NH+]2CCCOC2)[O-])CCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H23N3O3/c1-15-17(12-21)19(24)23(10-8-16-6-3-2-4-7-16)20(25)18(15)13-22-9-5-11-26-14-22/h2-4,6-7,25H,5,8-11,13-14H2,1H3