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

Systemtic Name: (2S)-1-(4-ethylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-ethylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(4-ethylphenoxy)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-ethylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(4-ethylphenoxy)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C21H28FN2O2+ MolecularWeight: 359.457623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C21H27FN2O2/c1-2-17-3-9-21(10-4-17)26-16-20(25)15-23-11-13-24(14-12-23)19-7-5-18(22)6-8-19/h3-10,20,25H,2,11-16H2,1H3/p+1/t20-/m0/s1