tert-butyl-[(2S)-2-[4-(4-ethylphenoxy)phenyl]-2-oxidanyl-ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=CC=C(C=C2)C(C[NH2+]C(C)(C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=CC=C(C=C2)[C@@H](C[NH2+]C(C)(C)C)O

InChI

InChI=1S/C20H27NO2/c1-5-15-6-10-17(11-7-15)23-18-12-8-16(9-13-18)19(22)14-21-20(2,3)4/h6-13,19,21-22H,5,14H2,1-4H3/p+1/t19-/m1/s1