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

Systemtic Name: 4-(4-methylphenyl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-(4-methylbenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-(3-pyridyl)pyrrolidine-2,3-dione CAS Name: 4-[(4-methylphenyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-(3-pyridinyl)pyrrolidine-2,3-dione IUPAC Name: 4-(4-methylbenzoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-4-p-toluoyl-5-(3-pyridyl)pyrrolidine-2,3-quinone Formula: C24H28N3O4+ MolecularWeight: 422.49682

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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4/c1-17-5-7-18(8-6-17)22(28)20-21(19-4-2-9-25-16-19)27(24(30)23(20)29)11-3-10-26-12-14-31-15-13-26/h2,4-9,16,20-21H,3,10-15H2,1H3/p+1