[(2S)-butan-2-yl]-[(2S)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO2/c1-4-12(3)16-10-14(17)11-18-15-8-6-7-13(5-2)9-15/h6-9,12,14,16-17H,4-5,10-11H2,1-3H3/p+1/t12-,14-/m0/s1