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

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-(4-tosylpiperazino)ethanone Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-16-4-6-19(7-5-16)27(25,26)23-10-8-22(9-11-23)20(24)15-21-13-17(2)12-18(3)14-21/h4-7,17-18H,8-15H2,1-3H3/p+1/t17-,18-/m1/s1