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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c1-16-13-17(2)21(18(3)14-16)28(26,27)24-11-9-22(10-12-24)20(25)15-23-8-6-5-7-19(23)4/h13-14,19H,5-12,15H2,1-4H3/p+1/t19-/m0/s1