tert-butyl-[(2S)-2-[4-(2,6-dimethylphenoxy)phenyl]-2-oxidanyl-ethyl]azanium

Systemtic Name: tert-butyl-[(2S)-2-[4-(2,6-dimethylphenoxy)phenyl]-2-oxidanyl-ethyl]azanium Openeye Name: tert-butyl-[(2S)-2-[4-(2,6-dimethylphenoxy)phenyl]-2-hydroxy-ethyl]ammonium CAS Name: tert-butyl-[(2S)-2-[4-(2,6-dimethylphenoxy)phenyl]-2-hydroxyethyl]ammonium IUPAC Name: tert-butyl-[(2S)-2-[4-(2,6-dimethylphenoxy)phenyl]-2-hydroxyethyl]azanium Traditional Name: tert-butyl-[(2S)-2-[4-(2,6-dimethylphenoxy)phenyl]-2-hydroxy-ethyl]ammonium Formula: C20H28NO2+ MolecularWeight: 314.44182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)C(C[NH2+]C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=CC=C(C=C2)[C@@H](C[NH2+]C(C)(C)C)O

InChI

InChI=1S/C20H27NO2/c1-14-7-6-8-15(2)19(14)23-17-11-9-16(10-12-17)18(22)13-21-20(3,4)5/h6-12,18,21-22H,13H2,1-5H3/p+1/t18-/m1/s1