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

Systemtic Name: 4-(3-methoxyphenyl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-(3-methoxybenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: 4-[(3-methoxyphenyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: 4-(3-methoxybenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: 4-m-anisoyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C23H27N2O5S+ MolecularWeight: 443.53588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2C(N(C(=O)C2=O)CCC[NH+]3CCOCC3)C4=CC=CS4

InChI

InChI=1S/C23H26N2O5S/c1-29-17-6-2-5-16(15-17)21(26)19-20(18-7-3-14-31-18)25(23(28)22(19)27)9-4-8-24-10-12-30-13-11-24/h2-3,5-7,14-15,19-20H,4,8-13H2,1H3/p+1