[(2S)-butan-2-yl]-[(2R)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(2R)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]azanium Traditional Name: [(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-[(1S)-1-methylpropyl]ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2/c1-6-13(2)18-11-15(19)12-20-16-9-7-14(8-10-16)17(3,4)5/h7-10,13,15,18-19H,6,11-12H2,1-5H3/p+1/t13-,15+/m0/s1