4-[2-methyl-4-(2-methylpropoxy)phenyl]carbonyl-5-pyridin-1-ium-3-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione

Systemtic Name: 4-[2-methyl-4-(2-methylpropoxy)phenyl]carbonyl-5-pyridin-1-ium-3-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Openeye Name: 4-(4-isobutoxy-2-methyl-benzoyl)-5-pyridin-1-ium-3-yl-1-(3-pyridylmethyl)pyrrolidine-2,3-dione CAS Name: 4-[[2-methyl-4-(2-methylpropoxy)phenyl]-oxomethyl]-5-(3-pyridin-1-iumyl)-1-(3-pyridinylmethyl)pyrrolidine-2,3-dione IUPAC Name: 4-[2-methyl-4-(2-methylpropoxy)benzoyl]-5-pyridin-1-ium-3-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione Traditional Name: 4-(4-isobutoxy-2-methyl-benzoyl)-5-pyridin-1-ium-3-yl-1-(3-pyridylmethyl)pyrrolidine-2,3-quinone Formula: C27H28N3O4+ MolecularWeight: 458.52892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4/c1-17(2)16-34-21-8-9-22(18(3)12-21)25(31)23-24(20-7-5-11-29-14-20)30(27(33)26(23)32)15-19-6-4-10-28-13-19/h4-14,17,23-24H,15-16H2,1-3H3/p+1