[(2R)-1-oxidanylbutan-2-yl]-[(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]azanium

Systemtic Name: [(2R)-1-oxidanylbutan-2-yl]-[(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]azanium Openeye Name: [(1R)-1-(hydroxymethyl)propyl]-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]ammonium CAS Name: [(2R)-1-hydroxybutan-2-yl]-[(2R)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]ammonium IUPAC Name: [(2R)-1-hydroxybutan-2-yl]-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]azanium Traditional Name: [(2R)-2-hydroxy-3-(4-propionylphenoxy)propyl]-[(1R)-1-methylolpropyl]ammonium Formula: C16H26NO4+ MolecularWeight: 296.38194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO4/c1-3-13(10-18)17-9-14(19)11-21-15-7-5-12(6-8-15)16(20)4-2/h5-8,13-14,17-19H,3-4,9-11H2,1-2H3/p+1/t13-,14-/m1/s1