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

Systemtic Name: 2-[2-(4-pyridin-3-ylcarbonylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-[oxo(3-pyridinyl)methyl]-1-piperazin-1-iumyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(4-nicotinoylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C24H23N4O3+ MolecularWeight: 415.46442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C24H22N4O3/c29-22(18-6-3-9-25-16-18)27-13-10-26(11-14-27)12-15-28-23(30)19-7-1-4-17-5-2-8-20(21(17)19)24(28)31/h1-9,16H,10-15H2/p+1