(3R)-3-oxidanyl-3-phenethyl-hexanoate; trimethyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium

Systemtic Name: (3R)-3-oxidanyl-3-phenethyl-hexanoate; trimethyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: [(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-trimethyl-ammonium; (3R)-3-hydroxy-3-phenethyl-hexanoate CAS Name: (3R)-3-hydroxy-3-phenethylhexanoate; [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-trimethylammonium IUPAC Name: (3R)-3-hydroxy-3-phenethylhexanoate; [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-trimethylazanium Traditional Name: [(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-trimethyl-ammonium; (3R)-3-hydroxy-3-phenethyl-hexanoate Formula: C26H39NO4 MolecularWeight: 429.59216

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC1=CC=CC=C1)(CC(=O)[O-])O.CC(C(C1=CC=CC=C1)O)[N+](C)(C)C

Isomeric SMILES

CCC[C@@](CCC1=CC=CC=C1)(CC(=O)[O-])O.C[C@@H]([C@@H](C1=CC=CC=C1)O)[N+](C)(C)C

InChI

InChI=1S/C14H20O3.C12H20NO/c1-2-9-14(17,11-13(15)16)10-8-12-6-4-3-5-7-12;1-10(13(2,3)4)12(14)11-8-6-5-7-9-11/h3-7,17H,2,8-11H2,1H3,(H,15,16);5-10,12,14H,1-4H3/q;+1/p-1/t14-;10-,12-/m10/s1