2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]isoindoline-1,3-dione CAS Name: 2-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]isoindoline-1,3-quinone Formula: C19H20N3O4S+ MolecularWeight: 386.4448

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H19N3O4S/c1-20-10-12-21(13-11-20)27(25,26)15-8-6-14(7-9-15)22-18(23)16-4-2-3-5-17(16)19(22)24/h2-9H,10-13H2,1H3/p+1