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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O5/c1-16-15-18(31-2)3-4-19(16)22(28)20-21(17-5-7-25-8-6-17)27(24(30)23(20)29)10-9-26-11-13-32-14-12-26/h3-8,15,21,28H,9-14H2,1-2H3/p+2