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

Systemtic Name: [(2S)-3-(3-bromanylphenoxy)-2-oxidanyl-propyl]-[(2S)-butan-2-yl]azanium Openeye Name: [(2S)-3-(3-bromophenoxy)-2-hydroxy-propyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-3-(3-bromophenoxy)-2-hydroxypropyl]-[(2S)-butan-2-yl]ammonium IUPAC Name: [(2S)-3-(3-bromophenoxy)-2-hydroxypropyl]-[(2S)-butan-2-yl]azanium Traditional Name: [(2S)-3-(3-bromophenoxy)-2-hydroxy-propyl]-[(1S)-1-methylpropyl]ammonium Formula: C13H21BrNO2+ MolecularWeight: 303.21534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrNO2/c1-3-10(2)15-8-12(16)9-17-13-6-4-5-11(14)7-13/h4-7,10,12,15-16H,3,8-9H2,1-2H3/p+1/t10-,12-/m0/s1