[(2S,3S)-2-(3,5-dimethylphenoxy)pentan-3-yl]azanium

Systemtic Name: [(2S,3S)-2-(3,5-dimethylphenoxy)pentan-3-yl]azanium Openeye Name: [(1S,2S)-2-(3,5-dimethylphenoxy)-1-ethyl-propyl]ammonium CAS Name: [(2S,3S)-2-(3,5-dimethylphenoxy)pentan-3-yl]ammonium IUPAC Name: [(2S,3S)-2-(3,5-dimethylphenoxy)pentan-3-yl]azanium Traditional Name: [(1S,2S)-2-(3,5-dimethylphenoxy)-1-ethyl-propyl]ammonium Formula: C13H22NO+ MolecularWeight: 208.31988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)OC1=CC(=CC(=C1)C)C)[NH3+]

Isomeric SMILES

CC[C@@H]([C@H](C)OC1=CC(=CC(=C1)C)C)[NH3+]

InChI

InChI=1S/C13H21NO/c1-5-13(14)11(4)15-12-7-9(2)6-10(3)8-12/h6-8,11,13H,5,14H2,1-4H3/p+1/t11-,13-/m0/s1