2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

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