2-(4-ethylpyridin-1-ium-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-ethylpyridin-1-ium-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-ethylpyridin-1-ium-1-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(4-ethyl-1-pyridin-1-iumyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-ethylpyridin-1-ium-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-ethylpyridin-1-ium-1-yl)-1-(4-tosylpiperazino)ethanone Formula: C20H26N3O3S+ MolecularWeight: 388.50374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H26N3O3S/c1-3-18-8-10-21(11-9-18)16-20(24)22-12-14-23(15-13-22)27(25,26)19-6-4-17(2)5-7-19/h4-11H,3,12-16H2,1-2H3/q+1