2-[(2S)-4-[(2-fluoranyl-5-methoxy-phenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-fluoranyl-5-methoxy-phenyl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-fluoro-5-methoxy-phenyl)methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-fluoro-5-methoxyphenyl)methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-fluoro-5-methoxyphenyl)methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-fluoro-5-methoxy-benzyl)-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C17H28FN2O2+ MolecularWeight: 311.414823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=C(C=CC(=C2)OC)F

Isomeric SMILES

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

InChI

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