[(3S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-3-benzyl-1-[(2-fluoro-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-(phenylmethyl)-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-3-benzyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-3-benzyl-1-(2-fluoro-4-methoxy-benzyl)piperidin-1-ium-3-yl]methanol Formula: C21H27FNO2+ MolecularWeight: 344.442983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCCC(C2)(CC3=CC=CC=C3)CO)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC[C@@](C2)(CC3=CC=CC=C3)CO)F

InChI

InChI=1S/C21H26FNO2/c1-25-19-9-8-18(20(22)12-19)14-23-11-5-10-21(15-23,16-24)13-17-6-3-2-4-7-17/h2-4,6-9,12,24H,5,10-11,13-16H2,1H3/p+1/t21-/m0/s1