4-[[(3S)-3-[(3-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[(3S)-3-[(3-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[(3S)-3-(3-fluoroanilino)-1-piperidin-1-iumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Formula: C20H26FN2O3+ MolecularWeight: 361.430443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN2O3/c1-25-18-9-14(10-19(26-2)20(18)24)12-23-8-4-7-17(13-23)22-16-6-3-5-15(21)11-16/h3,5-6,9-11,17,22,24H,4,7-8,12-13H2,1-2H3/p+1/t17-/m0/s1