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

Systemtic Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2,6-dimethyl-phenol Openeye Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2,6-dimethyl-phenol CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-2,6-dimethylphenol IUPAC Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2,6-dimethylphenol Traditional Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2,6-dimethyl-phenol Formula: C16H26NO+ MolecularWeight: 248.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC(=C(C(=C2)C)O)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=CC(=C(C(=C2)C)O)C)C

InChI

InChI=1S/C16H25NO/c1-11-5-12(2)9-17(8-11)10-15-6-13(3)16(18)14(4)7-15/h6-7,11-12,18H,5,8-10H2,1-4H3/p+1/t11-,12-/m1/s1