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

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C25H26N3O5S+ MolecularWeight: 480.55604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C25H25N3O5S/c1-33-19-8-10-20(11-9-19)34(31,32)27-15-12-26(13-16-27)14-17-28-24(29)21-6-2-4-18-5-3-7-22(23(18)21)25(28)30/h2-11H,12-17H2,1H3/p+1