4-ethanoyl-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-ethanoyl-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione Openeye Name: 4-acetyl-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-dione CAS Name: 4-acetyl-1-[2-(1H-indol-3-yl)ethyl]-5-(3-pyridin-1-iumyl)pyrrolidine-2,3-dione IUPAC Name: 4-acetyl-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-1-ium-3-ylpyrrolidine-2,3-dione Traditional Name: 4-acetyl-1-[2-(1H-indol-3-yl)ethyl]-5-pyridin-1-ium-3-yl-pyrrolidine-2,3-quinone Formula: C21H20N3O3+ MolecularWeight: 362.4018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(N(C(=O)C1=O)CCC2=CNC3=CC=CC=C32)C4=C[NH+]=CC=C4

Isomeric SMILES

CC(=O)C1C(N(C(=O)C1=O)CCC2=CNC3=CC=CC=C32)C4=C[NH+]=CC=C4

InChI

InChI=1S/C21H19N3O3/c1-13(25)18-19(15-5-4-9-22-11-15)24(21(27)20(18)26)10-8-14-12-23-17-7-3-2-6-16(14)17/h2-7,9,11-12,18-19,23H,8,10H2,1H3/p+1