2-[[(3S)-3-[(3-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol

Systemtic Name: 2-[[(3S)-3-[(3-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[(3S)-3-(3-fluoroanilino)-1-piperidin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C19H24FN2O2+ MolecularWeight: 331.404463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCCC(C2)NC3=CC(=CC=C3)F

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC[C@@H](C2)NC3=CC(=CC=C3)F

InChI

InChI=1S/C19H23FN2O2/c1-24-18-9-2-5-14(19(18)23)12-22-10-4-8-17(13-22)21-16-7-3-6-15(20)11-16/h2-3,5-7,9,11,17,21,23H,4,8,10,12-13H2,1H3/p+1/t17-/m0/s1