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

Systemtic Name: (3R,4R)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(4-fluoro-3-methoxy-phenyl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(4-fluoro-3-methoxy-benzyl)-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Formula: C17H27FN2O3+2 MolecularWeight: 326.406283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(C(C2)O)[NH+]3CCOCC3)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCOCC3)F

InChI

InChI=1S/C17H25FN2O3/c1-22-17-10-13(2-3-14(17)18)11-19-5-4-15(16(21)12-19)20-6-8-23-9-7-20/h2-3,10,15-16,21H,4-9,11-12H2,1H3/p+2/t15-,16-/m1/s1