2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(4-acetyl-1-piperazin-1-iumyl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-acetylpiperazin-1-ium-1-yl)ethyl]isoindoline-1,3-quinone Formula: C16H20N3O3+ MolecularWeight: 302.3483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H19N3O3/c1-12(20)18-9-6-17(7-10-18)8-11-19-15(21)13-4-2-3-5-14(13)16(19)22/h2-5H,6-11H2,1H3/p+1