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

Systemtic Name: 2-[(2S)-4-[(3-fluoranylpyridin-4-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-fluoro-4-pyridyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-fluoro-4-pyridinyl)methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-fluoropyridin-4-yl)methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(3-fluoro-4-pyridyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C13H21FN3O+ MolecularWeight: 254.323743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20FN3O/c1-16-5-6-17(10-12(16)3-7-18)9-11-2-4-15-8-13(11)14/h2,4,8,12,18H,3,5-7,9-10H2,1H3/p+1/t12-/m0/s1