4-(2,5-dimethylphenyl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-(2,5-dimethylphenyl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-(2,5-dimethylbenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: 4-[(2,5-dimethylphenyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: 4-(2,5-dimethylbenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: 4-(2,5-dimethylbenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C24H29N2O4S+ MolecularWeight: 441.56306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=CS4

InChI

InChI=1S/C24H28N2O4S/c1-16-6-7-17(2)18(15-16)22(27)20-21(19-5-3-14-31-19)26(24(29)23(20)28)9-4-8-25-10-12-30-13-11-25/h3,5-7,14-15,20-21H,4,8-13H2,1-2H3/p+1