(5S)-4-[(3-methoxyphenyl)-oxidanyl-methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-4-yl-pyrrolidine-2,3-dione

Systemtic Name: (5S)-4-[(3-methoxyphenyl)-oxidanyl-methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-4-yl-pyrrolidine-2,3-dione Openeye Name: (5S)-4-[hydroxy-(3-methoxyphenyl)methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-(4-pyridyl)pyrrolidine-2,3-dione CAS Name: (5S)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-[3-(4-morpholin-4-iumyl)propyl]-5-pyridin-4-ylpyrrolidine-2,3-dione IUPAC Name: (5S)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione Traditional Name: (5S)-4-[hydroxy-(3-methoxyphenyl)methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-(4-pyridyl)pyrrolidine-2,3-quinone Formula: C24H28N3O5+ MolecularWeight: 438.49622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=NC=C4)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=C2[C@@H](N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=NC=C4)O

InChI

InChI=1S/C24H27N3O5/c1-31-19-5-2-4-18(16-19)22(28)20-21(17-6-8-25-9-7-17)27(24(30)23(20)29)11-3-10-26-12-14-32-15-13-26/h2,4-9,16,21,28H,3,10-15H2,1H3/p+1/t21-/m0/s1