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

Systemtic Name: (2R)-1-[4-(phenylsulfonyl)piperazin-1-yl]-2-piperidin-1-ium-1-yl-propan-1-one Openeye Name: (2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-piperidin-1-ium-1-yl-propan-1-one CAS Name: (2R)-1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: (2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-piperidin-1-ium-1-ylpropan-1-one Traditional Name: (2R)-1-(4-besylpiperazino)-2-piperidin-1-ium-1-yl-propan-1-one Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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+]3CCCCC3

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C18H27N3O3S/c1-16(19-10-6-3-7-11-19)18(22)20-12-14-21(15-13-20)25(23,24)17-8-4-2-5-9-17/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3/p+1/t16-/m1/s1