2-[(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-propan-2-yl-piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-propan-2-yl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-isopropyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-propan-2-yl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-propan-2-ylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-fluoro-4-methoxy-benzyl)-4-isopropyl-piperazin-4-ium-2-yl]ethanol Formula: C17H28FN2O2+ MolecularWeight: 311.414823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27FN2O2/c1-13(2)19-7-8-20(15(12-19)6-9-21)11-14-4-5-16(22-3)10-17(14)18/h4-5,10,13,15,21H,6-9,11-12H2,1-3H3/p+1/t15-/m0/s1