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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

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