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

Systemtic Name: 2-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[3-(4-phenyl-1-piperazin-1-iumyl)propyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]benzo[de]isoquinoline-1,3-quinone Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O2/c29-24-21-11-4-7-19-8-5-12-22(23(19)21)25(30)28(24)14-6-13-26-15-17-27(18-16-26)20-9-2-1-3-10-20/h1-5,7-12H,6,13-18H2/p+1