(2S)-1-prop-2-ynoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-prop-2-ynoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-prop-2-ynoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-prop-2-ynoxy-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-prop-2-ynoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-propargyloxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propan-2-ol Formula: C17H22F3N2O2+ MolecularWeight: 343.36399

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOCC(C[NH+]1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)O

Isomeric SMILES

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

InChI

InChI=1S/C17H21F3N2O2/c1-2-10-24-13-16(23)12-21-6-8-22(9-7-21)15-5-3-4-14(11-15)17(18,19)20/h1,3-5,11,16,23H,6-10,12-13H2/p+1/t16-/m0/s1