(3R,4R)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(4-fluoro-3-methoxy-phenyl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(4-hydroxy-1-piperidin-1-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(4-fluoro-3-methoxy-benzyl)-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C18H29FN2O3+2 MolecularWeight: 340.432863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(C(C2)O)[NH+]3CCC(CC3)O)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCC(CC3)O)F

InChI

InChI=1S/C18H27FN2O3/c1-24-18-10-13(2-3-15(18)19)11-20-7-6-16(17(23)12-20)21-8-4-14(22)5-9-21/h2-3,10,14,16-17,22-23H,4-9,11-12H2,1H3/p+2/t16-,17-/m1/s1