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

Systemtic Name: (2S)-1-(3-ethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(3-ethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(3-ethylphenoxy)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(3-ethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(3-ethylphenoxy)-3-[4-(2-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(=CC=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3F)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@H](C[NH+]2CCN(CC2)C3=CC=CC=C3F)O

InChI

InChI=1S/C21H27FN2O2/c1-2-17-6-5-7-19(14-17)26-16-18(25)15-23-10-12-24(13-11-23)21-9-4-3-8-20(21)22/h3-9,14,18,25H,2,10-13,15-16H2,1H3/p+1/t18-/m0/s1