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

Systemtic Name: 2-[(2S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-(4-pyridylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-fluoro-4-methoxy-benzyl)-4-(4-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=NC=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=NC=C3)F

InChI

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