1-[2-(1H-indol-3-yl)ethyl]-4-[oxidanyl(phenyl)methylidene]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione

Systemtic Name: 1-[2-(1H-indol-3-yl)ethyl]-4-[oxidanyl(phenyl)methylidene]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy(phenyl)methylene]-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[hydroxy(phenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy(phenyl)methylidene]-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy(phenyl)methylene]-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C26H22N3O3+ MolecularWeight: 424.47118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC3=CNC4=CC=CC=C43)C5=C[NH+]=CC=C5)O

Isomeric SMILES

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC3=CNC4=CC=CC=C43)C5=C[NH+]=CC=C5)O

InChI

InChI=1S/C26H21N3O3/c30-24(17-7-2-1-3-8-17)22-23(19-9-6-13-27-15-19)29(26(32)25(22)31)14-12-18-16-28-21-11-5-4-10-20(18)21/h1-11,13,15-16,23,28,30H,12,14H2/p+1