(2R)-1-[4-(phenylsulfonyl)piperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-propan-1-one

Systemtic Name: (2R)-1-[4-(phenylsulfonyl)piperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-propan-1-one Openeye Name: (2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-propan-1-one CAS Name: (2R)-1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(1-pyrrolidin-1-iumyl)-1-propanone IUPAC Name: (2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-pyrrolidin-1-ium-1-ylpropan-1-one Traditional Name: (2R)-1-(4-besylpiperazino)-2-pyrrolidin-1-ium-1-yl-propan-1-one Formula: C17H26N3O3S+ MolecularWeight: 352.47164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH+]3CCCC3

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH+]3CCCC3

InChI

InChI=1S/C17H25N3O3S/c1-15(18-9-5-6-10-18)17(21)19-11-13-20(14-12-19)24(22,23)16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3/p+1/t15-/m1/s1