2-(3-nitrophenyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(3-nitrophenyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(3-nitrophenyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(3-nitrophenyl)-6-(1-piperazin-4-iumyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(3-nitrophenyl)-6-piperazin-4-ium-1-ylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(3-nitrophenyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-quinone Formula: C22H19N4O4+ MolecularWeight: 403.41066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O4/c27-21-17-6-2-5-16-19(24-11-9-23-10-12-24)8-7-18(20(16)17)22(28)25(21)14-3-1-4-15(13-14)26(29)30/h1-8,13,23H,9-12H2/p+1