[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-[(2S)-1-methoxypropan-2-yl]azanium

Systemtic Name: [(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-[(2S)-1-methoxypropan-2-yl]azanium Openeye Name: [(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]-[(1S)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: [(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-[(2S)-1-methoxypropan-2-yl]ammonium IUPAC Name: [(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-[(2S)-1-methoxypropan-2-yl]azanium Traditional Name: [(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]-[(1S)-2-methoxy-1-methyl-ethyl]ammonium Formula: C13H21BrNO3+ MolecularWeight: 319.21474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrNO3/c1-10(8-17-2)15-7-12(16)9-18-13-5-3-11(14)4-6-13/h3-6,10,12,15-16H,7-9H2,1-2H3/p+1/t10-,12+/m0/s1