2-[2-oxidanylidene-2-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-2-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-oxo-2-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-oxo-2-[4-(2-quinolin-1-iumyl)-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-oxo-2-(4-quinolin-1-ium-2-ylpiperazin-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-(4-quinolin-1-ium-2-ylpiperazino)ethyl]isoindoline-1,3-quinone Formula: C23H21N4O3+ MolecularWeight: 401.43784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C=C2)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=[NH+]C3=CC=CC=C3C=C2)C(=O)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H20N4O3/c28-21(15-27-22(29)17-6-2-3-7-18(17)23(27)30)26-13-11-25(12-14-26)20-10-9-16-5-1-4-8-19(16)24-20/h1-10H,11-15H2/p+1