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

Systemtic Name: 4-[(3-methoxyphenyl)-oxidanyl-methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy-(3-methoxyphenyl)methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-(3-methoxyphenyl)methylidene]-1-[3-(4-morpholin-4-iumyl)propyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy-(3-methoxyphenyl)methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy-(3-methoxyphenyl)methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C24H29N3O5+2 MolecularWeight: 439.50416

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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=C[NH+]=CC=C4)O

Isomeric SMILES

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

InChI

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