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

Systemtic Name: 2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C28H26N3O4S+ MolecularWeight: 500.58874

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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=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)C5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C28H25N3O4S/c32-27-24-9-3-7-21-8-4-10-25(26(21)24)28(33)31(27)18-15-29-13-16-30(17-14-29)36(34,35)23-12-11-20-5-1-2-6-22(20)19-23/h1-12,19H,13-18H2/p+1