[(2S)-3-(2,3-dimethylphenoxy)-2-oxidanyl-propyl]-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [(2S)-3-(2,3-dimethylphenoxy)-2-oxidanyl-propyl]-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [(2S)-3-(2,3-dimethylphenoxy)-2-hydroxy-propyl]-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [(2S)-3-(2,3-dimethylphenoxy)-2-hydroxypropyl]-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [(2S)-3-(2,3-dimethylphenoxy)-2-hydroxypropyl]-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [(2S)-3-(2,3-dimethylphenoxy)-2-hydroxy-propyl]-[(1R)-1-methylolpropyl]ammonium Formula: C15H26NO3+ MolecularWeight: 268.37184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC(COC1=CC=CC(=C1C)C)O

Isomeric SMILES

CC[C@H](CO)[NH2+]C[C@@H](COC1=CC=CC(=C1C)C)O

InChI

InChI=1S/C15H25NO3/c1-4-13(9-17)16-8-14(18)10-19-15-7-5-6-11(2)12(15)3/h5-7,13-14,16-18H,4,8-10H2,1-3H3/p+1/t13-,14+/m1/s1