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

Systemtic Name: (5R)-4-[(4-methoxy-3-methyl-phenyl)-oxidanyl-methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (5R)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (5R)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-[3-(4-morpholin-4-iumyl)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (5R)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (5R)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C24H29N2O5S+ MolecularWeight: 457.56246

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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=CC=CS4)O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=C2[C@@H](N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=CS4)O)OC

InChI

InChI=1S/C24H28N2O5S/c1-16-15-17(6-7-18(16)30-2)22(27)20-21(19-5-3-14-32-19)26(24(29)23(20)28)9-4-8-25-10-12-31-13-11-25/h3,5-7,14-15,21,27H,4,8-13H2,1-2H3/p+1/t21-/m0/s1