(2R)-1-(4-bromanylphenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(4-bromanylphenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(4-bromophenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-(4-bromophenoxy)-3-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-(4-bromophenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-(4-bromophenoxy)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol Formula: C16H25BrNO2+ MolecularWeight: 343.2792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC(COC2=CC=C(C=C2)Br)O)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1C[C@H](COC2=CC=C(C=C2)Br)O)C

InChI

InChI=1S/C16H24BrNO2/c1-12-4-3-5-13(2)18(12)10-15(19)11-20-16-8-6-14(17)7-9-16/h6-9,12-13,15,19H,3-5,10-11H2,1-2H3/p+1/t12-,13-,15+/m0/s1