1-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2,5-dione

Systemtic Name: 1-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2,5-dione Openeye Name: 1-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2,5-dione CAS Name: 1-[4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]pyrrolidine-2,5-dione IUPAC Name: 1-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2,5-dione Traditional Name: 1-[4-(4-pyridin-1-ium-2-ylpiperazino)sulfonylphenyl]pyrrolidine-2,5-quinone Formula: C19H21N4O4S+ MolecularWeight: 401.45944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H20N4O4S/c24-18-8-9-19(25)23(18)15-4-6-16(7-5-15)28(26,27)22-13-11-21(12-14-22)17-3-1-2-10-20-17/h1-7,10H,8-9,11-14H2/p+1