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

Systemtic Name: (5R)-4-[(3-methyl-4-propan-2-yloxy-phenyl)-oxidanyl-methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: (5R)-4-[hydroxy-(4-isopropoxy-3-methyl-phenyl)methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: (5R)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-[3-(4-morpholin-4-iumyl)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: (5R)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: (5R)-4-[hydroxy-(4-isopropoxy-3-methyl-phenyl)methylene]-1-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C26H33N2O5S+ MolecularWeight: 485.61562

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O5S/c1-17(2)33-20-8-7-19(16-18(20)3)24(29)22-23(21-6-4-15-34-21)28(26(31)25(22)30)10-5-9-27-11-13-32-14-12-27/h4,6-8,15-17,23,29H,5,9-14H2,1-3H3/p+1/t23-/m0/s1