N-(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)-2-[2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-2-yl]ethanamide

Systemtic Name: N-(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)-2-[2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-2-yl]ethanamide Openeye Name: 2-(2-benzylisoindolin-2-ium-2-yl)-N-(2-hydroxy-4-oxo-6-phenyl-pyran-3-yl)acetamide CAS Name: N-(2-hydroxy-4-oxo-6-phenyl-3-pyranyl)-2-[2-(phenylmethyl)-1,3-dihydroisoindol-2-ium-2-yl]acetamide IUPAC Name: 2-(2-benzyl-1,3-dihydroisoindol-2-ium-2-yl)-N-(2-hydroxy-4-oxo-6-phenylpyran-3-yl)acetamide Traditional Name: 2-(2-benzylisoindolin-2-ium-2-yl)-N-(2-hydroxy-4-keto-6-phenyl-pyran-3-yl)acetamide Formula: C28H25N2O4+ MolecularWeight: 453.5091

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C[N+]1(CC3=CC=CC=C3)CC(=O)NC4=C(OC(=CC4=O)C5=CC=CC=C5)O

Isomeric SMILES

C1C2=CC=CC=C2C[N+]1(CC3=CC=CC=C3)CC(=O)NC4=C(OC(=CC4=O)C5=CC=CC=C5)O

InChI

InChI=1S/C28H24N2O4/c31-24-15-25(21-11-5-2-6-12-21)34-28(33)27(24)29-26(32)19-30(16-20-9-3-1-4-10-20)17-22-13-7-8-14-23(22)18-30/h1-15H,16-19H2,(H-,29,31,32,33)/p+1