2-[[(3S)-3-[(3-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]-5-methoxy-phenol

Systemtic Name: 2-[[(3S)-3-[(3-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]-5-methoxy-phenol Openeye Name: 2-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]-5-methoxy-phenol CAS Name: 2-[[(3S)-3-(3-fluoroanilino)-1-piperidin-1-iumyl]methyl]-5-methoxyphenol IUPAC Name: 2-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]-5-methoxyphenol Traditional Name: 2-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]-5-methoxy-phenol Formula: C19H24FN2O2+ MolecularWeight: 331.404463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCCC(C2)NC3=CC(=CC=C3)F)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC[C@@H](C2)NC3=CC(=CC=C3)F)O

InChI

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