[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-(2-methylpropyl)azanium

Systemtic Name: [(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-(2-methylpropyl)azanium Openeye Name: [(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-isobutyl-ammonium CAS Name: [(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-(2-methylpropyl)ammonium IUPAC Name: [(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-(2-methylpropyl)azanium Traditional Name: [(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-isobutyl-ammonium Formula: C13H21BrNO2+ MolecularWeight: 303.21534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH2+]CC(COC1=CC=C(C=C1)Br)O

Isomeric SMILES

CC(C)C[NH2+]C[C@@H](COC1=CC=C(C=C1)Br)O

InChI

InChI=1S/C13H20BrNO2/c1-10(2)7-15-8-12(16)9-17-13-5-3-11(14)4-6-13/h3-6,10,12,15-16H,7-9H2,1-2H3/p+1/t12-/m0/s1