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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C[NH+]2CCCC(C2)NC3=CC(=CC=C3)F)O

Isomeric SMILES

COC1=CC=CC(=C1C[NH+]2CCC[C@@H](C2)NC3=CC(=CC=C3)F)O

InChI

InChI=1S/C19H23FN2O2/c1-24-19-9-3-8-18(23)17(19)13-22-10-4-7-16(12-22)21-15-6-2-5-14(20)11-15/h2-3,5-6,8-9,11,16,21,23H,4,7,10,12-13H2,1H3/p+1/t16-/m0/s1