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

Systemtic Name: 2-[4-[4-(diphenylmethyl)piperazin-1-ium-1-yl]butyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-ium-1-yl)butyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-[4-(diphenylmethyl)-1-piperazin-1-iumyl]butyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-ium-1-yl)butyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-(4-benzhydrylpiperazin-1-ium-1-yl)butyl]benzo[de]isoquinoline-1,3-quinone Formula: C33H34N3O2+ MolecularWeight: 504.64196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H33N3O2/c37-32-28-17-9-15-25-16-10-18-29(30(25)28)33(38)36(32)20-8-7-19-34-21-23-35(24-22-34)31(26-11-3-1-4-12-26)27-13-5-2-6-14-27/h1-6,9-18,31H,7-8,19-24H2/p+1