(2R)-1-(2,4-ditert-butylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2R)-1-(2,4-ditert-butylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2R)-1-(2,4-ditert-butylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2R)-1-(2,4-ditert-butylphenoxy)-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-(2,4-ditert-butylphenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2R)-1-(2,4-ditert-butylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C21H36NO2+ MolecularWeight: 334.51604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(C[NH+]2CCCC2)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCCC2)O)C(C)(C)C

InChI

InChI=1S/C21H35NO2/c1-20(2,3)16-9-10-19(18(13-16)21(4,5)6)24-15-17(23)14-22-11-7-8-12-22/h9-10,13,17,23H,7-8,11-12,14-15H2,1-6H3/p+1/t17-/m1/s1