2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanone Traditional Name: 1-(4-besylpiperazino)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanone Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

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