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

Systemtic Name: 2-[2-(4-propylsulfonylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-(4-propylsulfonylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(4-propylsulfonyl-1-piperazin-1-iumyl)ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(4-propylsulfonylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(4-propylsulfonylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-2-15-29(27,28)23-12-9-22(10-13-23)11-14-24-20(25)17-7-3-5-16-6-4-8-18(19(16)17)21(24)26/h3-8H,2,9-15H2,1H3/p+1