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

Systemtic Name: 2-[2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(4-methylsulfonyl-1-piperazin-1-iumyl)ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(4-methylsulfonylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(4-mesylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C19H22N3O4S+ MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C19H21N3O4S/c1-27(25,26)21-11-8-20(9-12-21)10-13-22-18(23)15-6-2-4-14-5-3-7-16(17(14)15)19(22)24/h2-7H,8-13H2,1H3/p+1