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

Systemtic Name: 2-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-(4-phenyl-1-piperazin-1-iumyl)butyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]benzo[de]isoquinoline-1,3-quinone Formula: C26H28N3O2+ MolecularWeight: 414.51942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2/c30-25-22-12-6-8-20-9-7-13-23(24(20)22)26(31)29(25)15-5-4-14-27-16-18-28(19-17-27)21-10-2-1-3-11-21/h1-3,6-13H,4-5,14-19H2/p+1