[(2R)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-[(2S)-2-ethylhexyl]azanium

Systemtic Name: [(2R)-3-(4-ethanoyl-2-methoxy-phenoxy)-2-oxidanyl-propyl]-[(2S)-2-ethylhexyl]azanium Openeye Name: [(2R)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-[(2S)-2-ethylhexyl]ammonium CAS Name: [(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[(2S)-2-ethylhexyl]ammonium IUPAC Name: [(2R)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[(2S)-2-ethylhexyl]azanium Traditional Name: [(2R)-3-(4-acetyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-[(2S)-2-ethylhexyl]ammonium Formula: C20H34NO4+ MolecularWeight: 352.48826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33NO4/c1-5-7-8-16(6-2)12-21-13-18(23)14-25-19-10-9-17(15(3)22)11-20(19)24-4/h9-11,16,18,21,23H,5-8,12-14H2,1-4H3/p+1/t16-,18+/m0/s1