2-[5-(4-phenylpiperazin-1-ium-1-yl)pentyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[5-(4-phenylpiperazin-1-ium-1-yl)pentyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[5-(4-phenylpiperazin-1-ium-1-yl)pentyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[5-(4-phenyl-1-piperazin-1-iumyl)pentyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[5-(4-phenylpiperazin-1-ium-1-yl)pentyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[5-(4-phenylpiperazin-1-ium-1-yl)pentyl]benzo[de]isoquinoline-1,3-quinone Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2/c31-26-23-13-7-9-21-10-8-14-24(25(21)23)27(32)30(26)16-6-2-5-15-28-17-19-29(20-18-28)22-11-3-1-4-12-22/h1,3-4,7-14H,2,5-6,15-20H2/p+1