1-[4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]pyrrolidine-2,5-dione

Systemtic Name: 1-[4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]pyrrolidine-2,5-dione Openeye Name: 1-[4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonyl-phenyl]pyrrolidine-2,5-dione CAS Name: 1-[4-methoxy-3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]pyrrolidine-2,5-dione IUPAC Name: 1-[4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2,5-dione Traditional Name: 1-[4-methoxy-3-(4-pyridin-1-ium-2-ylpiperazino)sulfonyl-phenyl]pyrrolidine-2,5-quinone Formula: C20H23N4O5S+ MolecularWeight: 431.48542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)CCC2=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)CCC2=O)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H22N4O5S/c1-29-16-6-5-15(24-19(25)7-8-20(24)26)14-17(16)30(27,28)23-12-10-22(11-13-23)18-4-2-3-9-21-18/h2-6,9,14H,7-8,10-13H2,1H3/p+1