1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-[(2R,6R)-2,6-dimethyl-1-piperidyl]ethanone CAS Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-[(2R,6R)-2,6-dimethylpiperidino]ethanone Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H31N3O3S/c1-17-7-6-8-18(2)23(17)20(24)15-21-11-13-22(14-12-21)27(25,26)16-19-9-4-3-5-10-19/h3-5,9-10,17-18H,6-8,11-16H2,1-2H3/p+1/t17-,18-/m1/s1