(2R)-1-piperidin-1-yl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2R)-1-piperidin-1-yl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(1-piperidyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(1-piperidinyl)-2-[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-piperidin-1-yl-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-piperidino-2-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propan-1-one Formula: C19H27F3N3O3S+ MolecularWeight: 434.49619

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H26F3N3O3S/c1-15(18(26)24-9-5-2-6-10-24)23-11-13-25(14-12-23)29(27,28)17-8-4-3-7-16(17)19(20,21)22/h3-4,7-8,15H,2,5-6,9-14H2,1H3/p+1/t15-/m1/s1