1-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]piperidine-2,6-dione

Systemtic Name: 1-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]piperidine-2,6-dione Openeye Name: 1-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]piperidine-2,6-dione CAS Name: 1-[4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]piperidine-2,6-dione IUPAC Name: 1-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]piperidine-2,6-dione Traditional Name: 1-[4-(4-pyridin-1-ium-2-ylpiperazino)sulfonylphenyl]piperidine-2,6-quinone Formula: C20H23N4O4S+ MolecularWeight: 415.48602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c25-19-5-3-6-20(26)24(19)16-7-9-17(10-8-16)29(27,28)23-14-12-22(13-15-23)18-4-1-2-11-21-18/h1-2,4,7-11H,3,5-6,12-15H2/p+1