(2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(2-tert-butyl-4-methoxyphenoxy)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-tert-butyl-4-methoxyphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(2-tert-butyl-4-methoxy-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C19H32NO3+ MolecularWeight: 322.46228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO3/c1-19(2,3)17-12-16(22-4)8-9-18(17)23-14-15(21)13-20-10-6-5-7-11-20/h8-9,12,15,21H,5-7,10-11,13-14H2,1-4H3/p+1/t15-/m0/s1