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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(N(C(=O)C1=O)CCC2=CNC3=CC=CC=C32)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(=O)C1C(N(C(=O)C1=O)CCC2=CNC3=CC=CC=C32)C4=CC=CC=[NH+]4

InChI

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