5-(3,4-diethoxyphenyl)-4-(phenylcarbonyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione

Systemtic Name: 5-(3,4-diethoxyphenyl)-4-(phenylcarbonyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: 4-benzoyl-5-(3,4-diethoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione CAS Name: 4-benzoyl-5-(3,4-diethoxyphenyl)-1-(3-pyridin-1-iumylmethyl)pyrrolidine-2,3-dione IUPAC Name: 4-benzoyl-5-(3,4-diethoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: 4-benzoyl-5-(3,4-diethoxyphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-quinone Formula: C27H27N2O5+ MolecularWeight: 459.51368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(C(=O)C(=O)N2CC3=C[NH+]=CC=C3)C(=O)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(C(=O)C(=O)N2CC3=C[NH+]=CC=C3)C(=O)C4=CC=CC=C4)OCC

InChI

InChI=1S/C27H26N2O5/c1-3-33-21-13-12-20(15-22(21)34-4-2)24-23(25(30)19-10-6-5-7-11-19)26(31)27(32)29(24)17-18-9-8-14-28-16-18/h5-16,23-24H,3-4,17H2,1-2H3/p+1