[(2R)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-[(2S)-pentan-2-yl]azanium

Systemtic Name: [(2R)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]-[(2S)-pentan-2-yl]azanium Openeye Name: [(2R)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-[(1S)-1-methylbutyl]ammonium CAS Name: [(2R)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[(2S)-pentan-2-yl]ammonium IUPAC Name: [(2R)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[(2S)-pentan-2-yl]azanium Traditional Name: [(2R)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-[(1S)-1-methylbutyl]ammonium Formula: C16H26NO3+ MolecularWeight: 280.38254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO3/c1-4-5-12(2)17-10-15(19)11-20-16-8-6-14(7-9-16)13(3)18/h6-9,12,15,17,19H,4-5,10-11H2,1-3H3/p+1/t12-,15+/m0/s1