[(2S)-3-(2,4-dimethylphenoxy)-2-oxidanyl-propyl]-[(2S)-3-methylbutan-2-yl]azanium

Systemtic Name: [(2S)-3-(2,4-dimethylphenoxy)-2-oxidanyl-propyl]-[(2S)-3-methylbutan-2-yl]azanium Openeye Name: [(2S)-3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]-[(1S)-1,2-dimethylpropyl]ammonium CAS Name: [(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-[(2S)-3-methylbutan-2-yl]ammonium IUPAC Name: [(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-[(2S)-3-methylbutan-2-yl]azanium Traditional Name: [(2S)-3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]-[(1S)-1,2-dimethylpropyl]ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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