3-(2-bromanylphenoxy)-N-ethyl-3-phenyl-propan-1-amine phosphate

Systemtic Name: 3-(2-bromanylphenoxy)-N-ethyl-3-phenyl-propan-1-amine phosphate Openeye Name: 3-(2-bromophenoxy)-N-ethyl-3-phenyl-propan-1-amine phosphate CAS Name: 3-(2-bromophenoxy)-N-ethyl-3-phenyl-1-propanamine phosphate IUPAC Name: 3-(2-bromophenoxy)-N-ethyl-3-phenylpropan-1-amine phosphate Traditional Name: [3-(2-bromophenoxy)-3-phenyl-propyl]-ethyl-amine phosphate Formula: C17H20BrNO5P-3 MolecularWeight: 429.222161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNCCC(C1=CC=CC=C1)OC2=CC=CC=C2Br.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCNCCC(C1=CC=CC=C1)OC2=CC=CC=C2Br.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C17H20BrNO.H3O4P/c1-2-19-13-12-16(14-8-4-3-5-9-14)20-17-11-7-6-10-15(17)18;1-5(2,3)4/h3-11,16,19H,2,12-13H2,1H3;(H3,1,2,3,4)/p-3