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

Systemtic Name: 4-[(4-methoxy-2-methyl-phenyl)-oxidanyl-methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-4-yl-pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy-(4-methoxy-2-methyl-phenyl)methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-4-yl-pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-1-[3-(4-morpholin-4-iumyl)propyl]-5-(4-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-4-ylpyrrolidine-2,3-dione Traditional Name: 4-[hydroxy-(4-methoxy-2-methyl-phenyl)methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-1-ium-4-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)OC)C(=C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=[NH+]C=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5/c1-17-16-19(32-2)4-5-20(17)23(29)21-22(18-6-8-26-9-7-18)28(25(31)24(21)30)11-3-10-27-12-14-33-15-13-27/h4-9,16,22,29H,3,10-15H2,1-2H3/p+2