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

Systemtic Name: [(2S)-3-(2-bromanylphenoxy)-2-oxidanyl-propyl]-dicyclohexyl-azanium Openeye Name: [(2S)-3-(2-bromophenoxy)-2-hydroxy-propyl]-dicyclohexyl-ammonium CAS Name: [(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-dicyclohexylammonium IUPAC Name: [(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-dicyclohexylazanium Traditional Name: [(2S)-3-(2-bromophenoxy)-2-hydroxy-propyl]-dicyclohexyl-ammonium Formula: C21H33BrNO2+ MolecularWeight: 411.39622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC(COC2=CC=CC=C2Br)O)C3CCCCC3

Isomeric SMILES

C1CCC(CC1)[NH+](C[C@@H](COC2=CC=CC=C2Br)O)C3CCCCC3

InChI

InChI=1S/C21H32BrNO2/c22-20-13-7-8-14-21(20)25-16-19(24)15-23(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h7-8,13-14,17-19,24H,1-6,9-12,15-16H2/p+1/t19-/m0/s1