tert-butyl-[(2R)-2-oxidanyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium

Systemtic Name: tert-butyl-[(2R)-2-oxidanyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium Openeye Name: tert-butyl-[(2R)-2-hydroxy-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]ammonium CAS Name: tert-butyl-[(2R)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]ammonium IUPAC Name: tert-butyl-[(2R)-2-hydroxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propyl]azanium Traditional Name: tert-butyl-[(2R)-2-hydroxy-3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl]ammonium Formula: C21H38NO2+ MolecularWeight: 336.53192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC(C[NH2+]C(C)(C)C)O

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC[C@@H](C[NH2+]C(C)(C)C)O

InChI

InChI=1S/C21H37NO2/c1-19(2,3)15-21(7,8)16-9-11-18(12-10-16)24-14-17(23)13-22-20(4,5)6/h9-12,17,22-23H,13-15H2,1-8H3/p+1/t17-/m1/s1