2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(3-methylsulfanylpropyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(3-methylsulfanylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(3-methylsulfanylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-[3-(methylthio)propyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-fluorophenyl)methyl]-4-(3-methylsulfanylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-fluorobenzyl)-4-[3-(methylthio)propyl]piperazin-4-ium-2-yl]ethanol Formula: C17H28FN2OS+ MolecularWeight: 327.480423

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCN(C(C1)CCO)CC2=CC=C(C=C2)F

Isomeric SMILES

CSCCC[NH+]1CCN([C@H](C1)CCO)CC2=CC=C(C=C2)F

InChI

InChI=1S/C17H27FN2OS/c1-22-12-2-8-19-9-10-20(17(14-19)7-11-21)13-15-3-5-16(18)6-4-15/h3-6,17,21H,2,7-14H2,1H3/p+1/t17-/m0/s1