2-[6-(4-phenylpiperazin-1-ium-1-yl)hexyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[6-(4-phenylpiperazin-1-ium-1-yl)hexyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[6-(4-phenylpiperazin-1-ium-1-yl)hexyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[6-(4-phenyl-1-piperazin-1-iumyl)hexyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[6-(4-phenylpiperazin-1-ium-1-yl)hexyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[6-(4-phenylpiperazin-1-ium-1-yl)hexyl]benzo[de]isoquinoline-1,3-quinone Formula: C28H32N3O2+ MolecularWeight: 442.57258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O2/c32-27-24-14-8-10-22-11-9-15-25(26(22)24)28(33)31(27)17-7-2-1-6-16-29-18-20-30(21-19-29)23-12-4-3-5-13-23/h3-5,8-15H,1-2,6-7,16-21H2/p+1