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

Systemtic Name: 2-[2-[4-(2-phenoxyethanoyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(2-phenoxyacetyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-(1-oxo-2-phenoxyethyl)-1-piperazin-1-iumyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(2-phenoxyacetyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(2-phenoxyacetyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C26H26N3O4+ MolecularWeight: 444.50234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O4/c30-23(18-33-20-8-2-1-3-9-20)28-15-12-27(13-16-28)14-17-29-25(31)21-10-4-6-19-7-5-11-22(24(19)21)26(29)32/h1-11H,12-18H2/p+1