2-[2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-(4-methyl-3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C25H25N4O6S+ MolecularWeight: 509.5542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O6S/c1-17-8-9-19(16-22(17)29(32)33)36(34,35)27-13-10-26(11-14-27)12-15-28-24(30)20-6-2-4-18-5-3-7-21(23(18)20)25(28)31/h2-9,16H,10-15H2,1H3/p+1