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

Systemtic Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2R,6R)-2,6-dimethylpiperidino]-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)ethanone Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O3S/c1-17(2)20-8-10-21(11-9-20)29(27,28)24-14-12-23(13-15-24)16-22(26)25-18(3)6-5-7-19(25)4/h8-11,17-19H,5-7,12-16H2,1-4H3/p+1/t18-,19-/m1/s1