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

Systemtic Name: 4-[(4-methoxy-3-methyl-phenyl)-oxidanyl-methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-[3-(4-morpholin-4-iumyl)propyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C25H31N3O5+2 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=C[NH+]=CC=C4)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=C[NH+]=CC=C4)O)OC

InChI

InChI=1S/C25H29N3O5/c1-17-15-18(6-7-20(17)32-2)23(29)21-22(19-5-3-8-26-16-19)28(25(31)24(21)30)10-4-9-27-11-13-33-14-12-27/h3,5-8,15-16,22,29H,4,9-14H2,1-2H3/p+2