tert-butyl-[(2S)-2-[3-(2-methylpropoxy)phenyl]-2-oxidanyl-ethyl]azanium

Systemtic Name: tert-butyl-[(2S)-2-[3-(2-methylpropoxy)phenyl]-2-oxidanyl-ethyl]azanium Openeye Name: tert-butyl-[(2S)-2-hydroxy-2-(3-isobutoxyphenyl)ethyl]ammonium CAS Name: tert-butyl-[(2S)-2-hydroxy-2-[3-(2-methylpropoxy)phenyl]ethyl]ammonium IUPAC Name: tert-butyl-[(2S)-2-hydroxy-2-[3-(2-methylpropoxy)phenyl]ethyl]azanium Traditional Name: tert-butyl-[(2S)-2-hydroxy-2-(3-isobutoxyphenyl)ethyl]ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2/c1-12(2)11-19-14-8-6-7-13(9-14)15(18)10-17-16(3,4)5/h6-9,12,15,17-18H,10-11H2,1-5H3/p+1/t15-/m1/s1