(2S)-1-(4-bromanylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(4-bromanylphenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(4-bromophenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(4-bromophenoxy)-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-bromophenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-bromophenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C13H19BrNO2+ MolecularWeight: 301.19946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO2/c14-11-3-5-13(6-4-11)17-10-12(16)9-15-7-1-2-8-15/h3-6,12,16H,1-2,7-10H2/p+1/t12-/m0/s1