(2R)-1-(4-tert-butylphenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(4-tert-butylphenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(4-tert-butylphenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-(4-tert-butylphenoxy)-3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-(4-tert-butylphenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-(4-tert-butylphenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-ol Formula: C20H34NO2+ MolecularWeight: 320.48946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(COC2=CC=C(C=C2)C(C)(C)C)O)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)C[C@H](COC2=CC=C(C=C2)C(C)(C)C)O)C

InChI

InChI=1S/C20H33NO2/c1-15-10-16(2)12-21(11-15)13-18(22)14-23-19-8-6-17(7-9-19)20(3,4)5/h6-9,15-16,18,22H,10-14H2,1-5H3/p+1/t15-,16-,18+/m0/s1