1-(2-morpholin-4-ium-4-ylethyl)-4-(phenylcarbonyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-4-(phenylcarbonyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-benzoyl-1-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: 4-benzoyl-1-[2-(4-morpholin-4-iumyl)ethyl]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: 4-benzoyl-1-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: 4-benzoyl-1-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C21H23N2O4S+ MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(C(C(=O)C2=O)C(=O)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1CCN2C(C(C(=O)C2=O)C(=O)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H22N2O4S/c24-19(15-5-2-1-3-6-15)17-18(16-7-4-14-28-16)23(21(26)20(17)25)9-8-22-10-12-27-13-11-22/h1-7,14,17-18H,8-13H2/p+1