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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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