3-ethanoyl-4-oxidanyl-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-5-one

Systemtic Name: 3-ethanoyl-4-oxidanyl-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-5-one Openeye Name: 3-acetyl-4-hydroxy-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-5-one CAS Name: 3-acetyl-4-hydroxy-2-phenyl-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-5-one IUPAC Name: 3-acetyl-4-hydroxy-2-phenyl-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-5-one Traditional Name: 4-acetyl-3-hydroxy-5-phenyl-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-2-one Formula: C18H17N2O3+ MolecularWeight: 309.33918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CC3=C[NH+]=CC=C3)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CC3=C[NH+]=CC=C3)O

InChI

InChI=1S/C18H16N2O3/c1-12(21)15-16(14-7-3-2-4-8-14)20(18(23)17(15)22)11-13-6-5-9-19-10-13/h2-10,16,22H,11H2,1H3/p+1