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

Systemtic Name: 2-[(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-(2-pyridylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(2-pyridinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-fluoro-4-methoxy-benzyl)-4-(2-pyridylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C20H27FN3O2+ MolecularWeight: 360.445683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC=CC=N3)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=CC=N3)F

InChI

InChI=1S/C20H26FN3O2/c1-26-19-6-5-16(20(21)12-19)13-24-10-9-23(15-18(24)7-11-25)14-17-4-2-3-8-22-17/h2-6,8,12,18,25H,7,9-11,13-15H2,1H3/p+1/t18-/m0/s1