(2S)-1-(2,3-dimethylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(2,3-dimethylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(2,3-dimethylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(2,3-dimethylphenoxy)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2,3-dimethylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(2,3-dimethylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C16H26NO2+ MolecularWeight: 264.38314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(C[NH+]2CCCCC2)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC[C@H](C[NH+]2CCCCC2)O)C

InChI

InChI=1S/C16H25NO2/c1-13-7-6-8-16(14(13)2)19-12-15(18)11-17-9-4-3-5-10-17/h6-8,15,18H,3-5,9-12H2,1-2H3/p+1/t15-/m0/s1