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

Systemtic Name: 2-[2-(4-phenacylpiperazin-4-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(4-phenacylpiperazin-4-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(4-phenacyl-1-piperazin-4-iumyl)ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(4-phenacylpiperazin-4-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(4-phenacylpiperazin-4-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C26H26N3O3+ MolecularWeight: 428.50294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CC=CC=C2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CC=CC=C2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C26H25N3O3/c30-23(19-6-2-1-3-7-19)18-28-14-12-27(13-15-28)16-17-29-25(31)21-10-4-8-20-9-5-11-22(24(20)21)26(29)32/h1-11H,12-18H2/p+1