[(2S)-3-(2-bromanylphenoxy)-2-oxidanyl-propyl]-propyl-azanium

Systemtic Name: [(2S)-3-(2-bromanylphenoxy)-2-oxidanyl-propyl]-propyl-azanium Openeye Name: [(2S)-3-(2-bromophenoxy)-2-hydroxy-propyl]-propyl-ammonium CAS Name: [(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-propylammonium IUPAC Name: [(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-propylazanium Traditional Name: [(2S)-3-(2-bromophenoxy)-2-hydroxy-propyl]-propyl-ammonium Formula: C12H19BrNO2+ MolecularWeight: 289.18876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC(COC1=CC=CC=C1Br)O

Isomeric SMILES

CCC[NH2+]C[C@@H](COC1=CC=CC=C1Br)O

InChI

InChI=1S/C12H18BrNO2/c1-2-7-14-8-10(15)9-16-12-6-4-3-5-11(12)13/h3-6,10,14-15H,2,7-9H2,1H3/p+1/t10-/m0/s1