[(2R)-butan-2-yl]-[(2R)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(2R)-butan-2-yl]-[(2R)-3-(3,5-dimethylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]-[(1R)-1-methylpropyl]ammonium CAS Name: [(2R)-butan-2-yl]-[(2R)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: [(2R)-butan-2-yl]-[(2R)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]azanium Traditional Name: [(2R)-3-(3,5-dimethylphenoxy)-2-hydroxy-propyl]-[(1R)-1-methylpropyl]ammonium Formula: C15H26NO2+ MolecularWeight: 252.37244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO2/c1-5-13(4)16-9-14(17)10-18-15-7-11(2)6-12(3)8-15/h6-8,13-14,16-17H,5,9-10H2,1-4H3/p+1/t13-,14-/m1/s1