(2S)-1-(4-chloranyl-2-methyl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(4-chloranyl-2-methyl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(4-chloro-2-methyl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(4-chloro-2-methylphenoxy)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-chloro-2-methyl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C15H23ClNO2+ MolecularWeight: 284.80162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClNO2/c1-12-9-13(16)5-6-15(12)19-11-14(18)10-17-7-3-2-4-8-17/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3/p+1/t14-/m0/s1