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

Systemtic Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol Openeye Name: (2S)-1-(2-allylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-3-(2-prop-2-enylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol Traditional Name: (2S)-1-(2-allylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C22H28FN2O2+ MolecularWeight: 371.468323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OCC(C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)O

Isomeric SMILES

C=CCC1=CC=CC=C1OC[C@H](C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C22H27FN2O2/c1-2-5-18-6-3-4-7-22(18)27-17-21(26)16-24-12-14-25(15-13-24)20-10-8-19(23)9-11-20/h2-4,6-11,21,26H,1,5,12-17H2/p+1/t21-/m0/s1