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

Systemtic Name: 5-cyano-4-methyl-6-oxidanylidene-1-(phenylmethyl)-3-(pyrrolidin-1-ium-1-ylmethyl)pyridin-2-olate Openeye Name: 1-benzyl-5-cyano-4-methyl-6-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)pyridin-2-olate CAS Name: 5-cyano-4-methyl-6-oxo-1-(phenylmethyl)-3-(1-pyrrolidin-1-iumylmethyl)-2-pyridinolate IUPAC Name: 1-benzyl-5-cyano-4-methyl-6-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)pyridin-2-olate Traditional Name: 1-benzyl-5-cyano-6-keto-4-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)pyridin-2-olate Formula: C19H21N3O2 MolecularWeight: 323.38894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C[NH+]2CCCC2)[O-])CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C[NH+]2CCCC2)[O-])CC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H21N3O2/c1-14-16(11-20)18(23)22(12-15-7-3-2-4-8-15)19(24)17(14)13-21-9-5-6-10-21/h2-4,7-8,24H,5-6,9-10,12-13H2,1H3