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

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

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

Isomeric SMILES

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

InChI

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