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

Systemtic Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-prop-2-ynoxy-propan-2-ol Openeye Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-prop-2-ynoxy-propan-2-ol CAS Name: (2S)-1-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-3-prop-2-ynoxy-2-propanol IUPAC Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-prop-2-ynoxypropan-2-ol Traditional Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-propargyloxy-propan-2-ol Formula: C16H22FN2O2+ MolecularWeight: 293.356483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21FN2O2/c1-2-11-21-13-16(20)12-18-7-9-19(10-8-18)15-5-3-14(17)4-6-15/h1,3-6,16,20H,7-13H2/p+1/t16-/m0/s1