2-(5-chloranylpyridin-2-yl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(5-chloranylpyridin-2-yl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(5-chloro-2-pyridyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(5-chloro-2-pyridinyl)-6-(1-piperazin-4-iumyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(5-chloropyridin-2-yl)-6-piperazin-4-ium-1-ylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(5-chloro-2-pyridyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-quinone Formula: C21H18ClN4O2+ MolecularWeight: 393.84622

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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=NC=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O2/c22-13-4-7-18(24-12-13)26-20(27)15-3-1-2-14-17(25-10-8-23-9-11-25)6-5-16(19(14)15)21(26)28/h1-7,12,23H,8-11H2/p+1