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

Systemtic Name: 2-[2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C25H26N3O4S+ MolecularWeight: 464.55664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C25H25N3O4S/c1-26-14-16-27(17-15-26)33(31,32)20-10-8-18(9-11-20)12-13-28-24(29)21-6-2-4-19-5-3-7-22(23(19)21)25(28)30/h2-11H,12-17H2,1H3/p+1