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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)[NH2+]CC(COC1=CC=C(C=C1)C(C)(C)C)O

Isomeric SMILES

CC(C)(C)CC(C)(C)[NH2+]C[C@H](COC1=CC=C(C=C1)C(C)(C)C)O

InChI

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