2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Formula: C23H31N4O4S+ MolecularWeight: 459.58164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C23H30N4O4S/c28-22-9-5-4-8-21(22)25-12-10-24(11-13-25)18-23(29)26-14-16-27(17-15-26)32(30,31)19-20-6-2-1-3-7-20/h1-9,28H,10-19H2/p+1