2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-1-(4-tosylpiperazino)ethanone Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-3-18-6-4-5-11-22(18)16-20(24)21-12-14-23(15-13-21)27(25,26)19-9-7-17(2)8-10-19/h7-10,18H,3-6,11-16H2,1-2H3/p+1/t18-/m0/s1