1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-[(2R,6R)-2,6-dimethyl-1-piperidyl]ethanone CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-1-[(2R,6R)-2,6-dimethylpiperidino]ethanone Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-16-7-6-8-17(2)22(16)19(23)15-20-11-13-21(14-12-20)26(24,25)18-9-4-3-5-10-18/h3-5,9-10,16-17H,6-8,11-15H2,1-2H3/p+1/t16-,17-/m1/s1