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

Systemtic Name: 2-[4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyl]benzo[de]isoquinoline-1,3-quinone Formula: C25H25N4O3+ MolecularWeight: 429.491

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C25H24N4O3/c30-22(28-16-14-27(15-17-28)21-10-1-2-12-26-21)11-5-13-29-24(31)19-8-3-6-18-7-4-9-20(23(18)19)25(29)32/h1-4,6-10,12H,5,11,13-17H2/p+1