5-(4-bromophenyl)-4-[(4-ethoxyphenyl)-oxidanyl-methylidene]-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione

Systemtic Name: 5-(4-bromophenyl)-4-[(4-ethoxyphenyl)-oxidanyl-methylidene]-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: 5-(4-bromophenyl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione CAS Name: 5-(4-bromophenyl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(3-pyridin-1-iumylmethyl)pyrrolidine-2,3-dione IUPAC Name: 5-(4-bromophenyl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: 5-(4-bromophenyl)-4-[hydroxy(p-phenetyl)methylene]-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-quinone Formula: C25H22BrN2O4+ MolecularWeight: 494.35718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=C(C=C4)Br)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C25H21BrN2O4/c1-2-32-20-11-7-18(8-12-20)23(29)21-22(17-5-9-19(26)10-6-17)28(25(31)24(21)30)15-16-4-3-13-27-14-16/h3-14,22,29H,2,15H2,1H3/p+1