tert-butyl-[(2S)-4-(3,4-dimethylphenoxy)-2-oxidanyl-butyl]azanium

Systemtic Name: tert-butyl-[(2S)-4-(3,4-dimethylphenoxy)-2-oxidanyl-butyl]azanium Openeye Name: tert-butyl-[(2S)-4-(3,4-dimethylphenoxy)-2-hydroxy-butyl]ammonium CAS Name: tert-butyl-[(2S)-4-(3,4-dimethylphenoxy)-2-hydroxybutyl]ammonium IUPAC Name: tert-butyl-[(2S)-4-(3,4-dimethylphenoxy)-2-hydroxybutyl]azanium Traditional Name: tert-butyl-[(2S)-4-(3,4-dimethylphenoxy)-2-hydroxy-butyl]ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCC(C[NH2+]C(C)(C)C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC[C@@H](C[NH2+]C(C)(C)C)O)C

InChI

InChI=1S/C16H27NO2/c1-12-6-7-15(10-13(12)2)19-9-8-14(18)11-17-16(3,4)5/h6-7,10,14,17-18H,8-9,11H2,1-5H3/p+1/t14-/m0/s1