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

Systemtic Name: 4-(4-methylphenyl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-yl-pyrrolidine-2,3-dione Openeye Name: 4-(4-methylbenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-(2-thienyl)pyrrolidine-2,3-dione CAS Name: 4-[(4-methylphenyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-thiophen-2-ylpyrrolidine-2,3-dione IUPAC Name: 4-(4-methylbenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-thiophen-2-ylpyrrolidine-2,3-dione Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-4-p-toluoyl-5-(2-thienyl)pyrrolidine-2,3-quinone Formula: C23H27N2O4S+ MolecularWeight: 427.53648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-16-5-7-17(8-6-16)21(26)19-20(18-4-2-15-30-18)25(23(28)22(19)27)10-3-9-24-11-13-29-14-12-24/h2,4-8,15,19-20H,3,9-14H2,1H3/p+1