4-bromanyl-2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methoxy-phenol

Systemtic Name: 4-bromanyl-2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 4-bromo-2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 4-bromo-2-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 4-bromo-2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 4-bromo-2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C15H23BrNO2+ MolecularWeight: 329.25262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC(=CC(=C2O)OC)Br)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=CC(=CC(=C2O)OC)Br)C

InChI

InChI=1S/C15H22BrNO2/c1-10-4-11(2)8-17(7-10)9-12-5-13(16)6-14(19-3)15(12)18/h5-6,10-11,18H,4,7-9H2,1-3H3/p+1/t10-,11-/m1/s1