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

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]benzo[de]isoquinoline-1,3-quinone Formula: C23H21ClN3O2+ MolecularWeight: 406.88474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C23H20ClN3O2/c24-17-6-3-7-18(14-17)26-12-10-25(11-13-26)15-27-22(28)19-8-1-4-16-5-2-9-20(21(16)19)23(27)29/h1-9,14H,10-13,15H2/p+1