[(1S)-1-(2-ethoxyphenyl)-2-(3-methylbutoxy)ethyl]azanium

Systemtic Name: [(1S)-1-(2-ethoxyphenyl)-2-(3-methylbutoxy)ethyl]azanium Openeye Name: [(1S)-1-(2-ethoxyphenyl)-2-isopentyloxy-ethyl]ammonium CAS Name: [(1S)-1-(2-ethoxyphenyl)-2-(3-methylbutoxy)ethyl]ammonium IUPAC Name: [(1S)-1-(2-ethoxyphenyl)-2-(3-methylbutoxy)ethyl]azanium Traditional Name: [(1S)-2-isoamoxy-1-o-phenetyl-ethyl]ammonium Formula: C15H26NO2+ MolecularWeight: 252.37244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO2/c1-4-18-15-8-6-5-7-13(15)14(16)11-17-10-9-12(2)3/h5-8,12,14H,4,9-11,16H2,1-3H3/p+1/t14-/m1/s1