(2S)-1-[2,4-bis(bromanyl)phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[2,4-bis(bromanyl)phenoxy]-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(2,4-dibromophenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(2,4-dibromophenoxy)-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2,4-dibromophenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(2,4-dibromophenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C13H18Br2NO2+ MolecularWeight: 380.09552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(COC2=C(C=C(C=C2)Br)Br)O

Isomeric SMILES

C1CC[NH+](C1)C[C@@H](COC2=C(C=C(C=C2)Br)Br)O

InChI

InChI=1S/C13H17Br2NO2/c14-10-3-4-13(12(15)7-10)18-9-11(17)8-16-5-1-2-6-16/h3-4,7,11,17H,1-2,5-6,8-9H2/p+1/t11-/m0/s1