4-[[(3S)-3-[(4-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol

Systemtic Name: 4-[[(3S)-3-[(4-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol Openeye Name: 4-[[(3S)-3-(4-fluoroanilino)piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol CAS Name: 4-[[(3S)-3-(4-fluoroanilino)-1-piperidin-1-iumyl]methyl]-2-methoxyphenol IUPAC Name: 4-[[(3S)-3-(4-fluoroanilino)piperidin-1-ium-1-yl]methyl]-2-methoxyphenol Traditional Name: 4-[[(3S)-3-(4-fluoroanilino)piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol Formula: C19H24FN2O2+ MolecularWeight: 331.404463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23FN2O2/c1-24-19-11-14(4-9-18(19)23)12-22-10-2-3-17(13-22)21-16-7-5-15(20)6-8-16/h4-9,11,17,21,23H,2-3,10,12-13H2,1H3/p+1/t17-/m0/s1