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

Systemtic Name: [(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: [(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: [(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: [(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]-[(1R)-1-methylolpropyl]ammonium Formula: C13H21BrNO3+ MolecularWeight: 319.21474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrNO3/c1-2-11(8-16)15-7-12(17)9-18-13-5-3-10(14)4-6-13/h3-6,11-12,15-17H,2,7-9H2,1H3/p+1/t11-,12-/m1/s1