(3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxy-phenyl]methyl]-4-morpholin-4-yl-piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxy-phenyl]methyl]-4-morpholin-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[[3-(hydroxymethyl)-4-isopropoxy-phenyl]methyl]-4-morpholino-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-(4-morpholinyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]methyl]-4-morpholin-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(4-isopropoxy-3-methylol-benzyl)-4-morpholino-piperidin-1-ium-3-ol Formula: C20H33N2O4+ MolecularWeight: 365.48702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C[NH+]2CCC(C(C2)O)N3CCOCC3)CO

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C[NH+]2CC[C@H]([C@@H](C2)O)N3CCOCC3)CO

InChI

InChI=1S/C20H32N2O4/c1-15(2)26-20-4-3-16(11-17(20)14-23)12-21-6-5-18(19(24)13-21)22-7-9-25-10-8-22/h3-4,11,15,18-19,23-24H,5-10,12-14H2,1-2H3/p+1/t18-,19-/m1/s1