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2-(2,4-dimethylphenoxy)ethyl-[(2S)-2-oxidanylpropyl]azanium

2-(2,4-dimethylphenoxy)ethyl-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name:2-(2,4-dimethylphenoxy)ethyl-[(2S)-2-oxidanylpropyl]azanium
Openeye Name:2-(2,4-dimethylphenoxy)ethyl-[(2S)-2-hydroxypropyl]ammonium
CAS Name:2-(2,4-dimethylphenoxy)ethyl-[(2S)-2-hydroxypropyl]ammonium
IUPAC Name:2-(2,4-dimethylphenoxy)ethyl-[(2S)-2-hydroxypropyl]azanium
Traditional Name:2-(2,4-dimethylphenoxy)ethyl-[(2S)-2-hydroxypropyl]ammonium
Formula: C13H22NO2+
MolecularWeight: 224.31928
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC[NH2+]CC(C)O)C


Isomeric SMILES

CC1=CC(=C(C=C1)OCC[NH2+]C[C@H](C)O)C


InChI

InChI=1S/C13H21NO2/c1-10-4-5-13(11(2)8-10)16-7-6-14-9-12(3)15/h4-5,8,12,14-15H,6-7,9H2,1-3H3/p+1/t12-/m0/s1


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