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

Systemtic Name: 2-[(2S)-4-(3-fluoranylpyridin-2-yl)-1-(furan-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(3-fluoro-2-pyridyl)-1-(2-furylmethyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(3-fluoro-2-pyridinyl)-1-(2-furanylmethyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(3-fluoropyridin-2-yl)-1-(furan-2-ylmethyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-fluoro-2-pyridyl)-1-(2-furfuryl)piperazin-1-ium-2-yl]ethanol Formula: C16H21FN3O2+ MolecularWeight: 306.355243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CC2=CC=CO2)CCO)C3=C(C=CC=N3)F

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CC2=CC=CO2)CCO)C3=C(C=CC=N3)F

InChI

InChI=1S/C16H20FN3O2/c17-15-4-1-6-18-16(15)20-8-7-19(13(11-20)5-9-21)12-14-3-2-10-22-14/h1-4,6,10,13,21H,5,7-9,11-12H2/p+1/t13-/m0/s1