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

Systemtic Name: 4-methyl-6-oxidanyl-2-oxidanylidene-1-(phenylmethyl)-5-(pyrrolidin-1-ium-1-ylmethyl)pyridine-3-carbonitrile Openeye Name: 1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(pyrrolidin-1-ium-1-ylmethyl)pyridine-3-carbonitrile CAS Name: 6-hydroxy-4-methyl-2-oxo-1-(phenylmethyl)-5-(1-pyrrolidin-1-iumylmethyl)-3-pyridinecarbonitrile IUPAC Name: 1-benzyl-6-hydroxy-4-methyl-2-oxo-5-(pyrrolidin-1-ium-1-ylmethyl)pyridine-3-carbonitrile Traditional Name: 1-benzyl-6-hydroxy-2-keto-4-methyl-5-(pyrrolidin-1-ium-1-ylmethyl)nicotinonitrile Formula: C19H22N3O2+ MolecularWeight: 324.39688

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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/p+1