(2R)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C14H19F3N3O3S+ MolecularWeight: 366.37917

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C[C@H](C(=O)N)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H18F3N3O3S/c1-10(13(18)21)19-6-8-20(9-7-19)24(22,23)12-4-2-11(3-5-12)14(15,16)17/h2-5,10H,6-9H2,1H3,(H2,18,21)/p+1/t10-/m1/s1