2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(3R)-3-methyl-1-piperidin-1-iumyl]-1-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(3R)-3-methylpiperidin-1-ium-1-yl]-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-(4-mesitylsulfonylpiperazino)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone Formula: C21H34N3O3S+ MolecularWeight: 408.57796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C21H33N3O3S/c1-16-6-5-7-22(14-16)15-20(25)23-8-10-24(11-9-23)28(26,27)21-18(3)12-17(2)13-19(21)4/h12-13,16H,5-11,14-15H2,1-4H3/p+1/t16-/m1/s1