(2R)-1-pyrrolidin-1-ium-1-yl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol

Systemtic Name: (2R)-1-pyrrolidin-1-ium-1-yl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol Openeye Name: (2R)-1-pyrrolidin-1-ium-1-yl-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propan-2-ol CAS Name: (2R)-1-(1-pyrrolidin-1-iumyl)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-2-propanol IUPAC Name: (2R)-1-pyrrolidin-1-ium-1-yl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol Traditional Name: (2R)-1-pyrrolidin-1-ium-1-yl-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propan-2-ol Formula: C21H36NO2+ MolecularWeight: 334.51604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO2/c1-20(2,3)16-21(4,5)17-8-10-19(11-9-17)24-15-18(23)14-22-12-6-7-13-22/h8-11,18,23H,6-7,12-16H2,1-5H3/p+1/t18-/m1/s1