[(3S)-1-(3,5-dimethylphenoxy)pentan-3-yl]azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCOC1=CC(=CC(=C1)C)C)[NH3+]

Isomeric SMILES

CC[C@@H](CCOC1=CC(=CC(=C1)C)C)[NH3+]

InChI

InChI=1S/C13H21NO/c1-4-12(14)5-6-15-13-8-10(2)7-11(3)9-13/h7-9,12H,4-6,14H2,1-3H3/p+1/t12-/m0/s1