2-[4-(phenylmethyl)piperidin-1-ium-1-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-(phenylmethyl)piperidin-1-ium-1-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-benzylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-benzylpiperidin-1-ium-1-yl)ethanone Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(4-besylpiperazino)ethanone Formula: C24H32N3O3S+ MolecularWeight: 442.59418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3S/c28-24(20-25-13-11-22(12-14-25)19-21-7-3-1-4-8-21)26-15-17-27(18-16-26)31(29,30)23-9-5-2-6-10-23/h1-10,22H,11-20H2/p+1