[(2S)-1-(3,5-dimethylphenoxy)-3-methyl-butan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(C(C)C)[NH3+])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC[C@H](C(C)C)[NH3+])C

InChI

InChI=1S/C13H21NO/c1-9(2)13(14)8-15-12-6-10(3)5-11(4)7-12/h5-7,9,13H,8,14H2,1-4H3/p+1/t13-/m1/s1