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

Systemtic Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]butyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]butyl]benzo[de]isoquinoline-1,3-quinone Formula: C24H26N5O2+ MolecularWeight: 416.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=NC=CC=N5

InChI

InChI=1S/C24H25N5O2/c30-22-19-8-3-6-18-7-4-9-20(21(18)19)23(31)29(22)13-2-1-12-27-14-16-28(17-15-27)24-25-10-5-11-26-24/h3-11H,1-2,12-17H2/p+1