2-[2-(4-quinolin-8-ylsulfonylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-(4-quinolin-8-ylsulfonylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(8-quinolylsulfonyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-(8-quinolinylsulfonyl)-1-piperazin-1-iumyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(4-quinolin-8-ylsulfonylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(8-quinolylsulfonyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C27H25N4O4S+ MolecularWeight: 501.5768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C27H24N4O4S/c32-26-21-9-1-5-19-6-2-10-22(24(19)21)27(33)31(26)18-15-29-13-16-30(17-14-29)36(34,35)23-11-3-7-20-8-4-12-28-25(20)23/h1-12H,13-18H2/p+1