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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C25H24N3O3+ MolecularWeight: 414.47636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C25H23N3O3/c29-22(27-14-12-26(13-15-27)16-18-6-2-1-3-7-18)17-28-24(30)20-10-4-8-19-9-5-11-21(23(19)20)25(28)31/h1-11H,12-17H2/p+1