[(3S,4S)-3-(2-acetamidophenoxy)heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-(2-acetamidophenoxy)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(2-acetamidophenoxy)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(2-acetamidophenoxy)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(2-acetamidophenoxy)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(2-acetamidophenoxy)-1-propyl-butyl]ammonium Formula: C15H25N2O2+ MolecularWeight: 265.3712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)OC1=CC=CC=C1NC(=O)C)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)OC1=CC=CC=C1NC(=O)C)[NH3+]

InChI

InChI=1S/C15H24N2O2/c1-4-8-12(16)14(5-2)19-15-10-7-6-9-13(15)17-11(3)18/h6-7,9-10,12,14H,4-5,8,16H2,1-3H3,(H,17,18)/p+1/t12-,14-/m0/s1