4-[(4-methylphenyl)-oxidanyl-methylidene]-5-(4-propan-2-ylphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione

Systemtic Name: 4-[(4-methylphenyl)-oxidanyl-methylidene]-5-(4-propan-2-ylphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: 4-[hydroxy(p-tolyl)methylene]-5-(4-isopropylphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione CAS Name: 4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-(3-pyridin-1-iumylmethyl)pyrrolidine-2,3-dione IUPAC Name: 4-[hydroxy-(4-methylphenyl)methylidene]-5-(4-propan-2-ylphenyl)-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: 4-[hydroxy(p-tolyl)methylene]-5-p-cumenyl-1-(pyridin-1-ium-3-ylmethyl)pyrrolidine-2,3-quinone Formula: C27H27N2O3+ MolecularWeight: 427.51488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=C(C=C4)C(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C[NH+]=CC=C3)C4=CC=C(C=C4)C(C)C)O

InChI

InChI=1S/C27H26N2O3/c1-17(2)20-10-12-21(13-11-20)24-23(25(30)22-8-6-18(3)7-9-22)26(31)27(32)29(24)16-19-5-4-14-28-15-19/h4-15,17,24,30H,16H2,1-3H3/p+1