[(3S)-1-(2,6-dimethylphenoxy)pentan-3-yl]azanium

Systemtic Name: [(3S)-1-(2,6-dimethylphenoxy)pentan-3-yl]azanium Openeye Name: [(1S)-3-(2,6-dimethylphenoxy)-1-ethyl-propyl]ammonium CAS Name: [(3S)-1-(2,6-dimethylphenoxy)pentan-3-yl]ammonium IUPAC Name: [(3S)-1-(2,6-dimethylphenoxy)pentan-3-yl]azanium Traditional Name: [(1S)-3-(2,6-dimethylphenoxy)-1-ethyl-propyl]ammonium Formula: C13H22NO+ MolecularWeight: 208.31988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCOC1=C(C=CC=C1C)C)[NH3+]

Isomeric SMILES

CC[C@@H](CCOC1=C(C=CC=C1C)C)[NH3+]

InChI

InChI=1S/C13H21NO/c1-4-12(14)8-9-15-13-10(2)6-5-7-11(13)3/h5-7,12H,4,8-9,14H2,1-3H3/p+1/t12-/m0/s1