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

Systemtic Name: (2R)-1-pyrrolidin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-pyrrolidin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(1-pyrrolidinyl)-2-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-pyrrolidin-1-yl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-pyrrolidino-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propan-1-one Formula: C18H25F3N3O3S+ MolecularWeight: 420.46961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H24F3N3O3S/c1-14(17(25)23-8-2-3-9-23)22-10-12-24(13-11-22)28(26,27)16-6-4-15(5-7-16)18(19,20)21/h4-7,14H,2-3,8-13H2,1H3/p+1/t14-/m1/s1