[(3R)-3-(4-ethoxyphenyl)-3-oxidanyl-propyl]-[(2R,3R)-2-oxidanyl-4-oxidanylidene-pentan-3-yl]azanium

Systemtic Name: [(3R)-3-(4-ethoxyphenyl)-3-oxidanyl-propyl]-[(2R,3R)-2-oxidanyl-4-oxidanylidene-pentan-3-yl]azanium Openeye Name: [(1R,2R)-1-acetyl-2-hydroxy-propyl]-[(3R)-3-(4-ethoxyphenyl)-3-hydroxy-propyl]ammonium CAS Name: [(3R)-3-(4-ethoxyphenyl)-3-hydroxypropyl]-[(2R,3R)-2-hydroxy-4-oxopentan-3-yl]ammonium IUPAC Name: [(3R)-3-(4-ethoxyphenyl)-3-hydroxypropyl]-[(2R,3R)-2-hydroxy-4-oxopentan-3-yl]azanium Traditional Name: [(1R,2R)-1-acetyl-2-hydroxy-propyl]-[(3R)-3-hydroxy-3-p-phenetyl-propyl]ammonium Formula: C16H26NO4+ MolecularWeight: 296.38194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC[NH2+]C(C(C)O)C(=O)C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H](CC[NH2+][C@H]([C@@H](C)O)C(=O)C)O

InChI

InChI=1S/C16H25NO4/c1-4-21-14-7-5-13(6-8-14)15(20)9-10-17-16(11(2)18)12(3)19/h5-8,11,15-18,20H,4,9-10H2,1-3H3/p+1/t11-,15-,16-/m1/s1