(2S)-1-[4-bromanyl-2,6-bis(fluoranyl)phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[4-bromanyl-2,6-bis(fluoranyl)phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(4-bromo-2,6-difluoro-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(4-bromo-2,6-difluorophenoxy)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-bromo-2,6-difluorophenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-bromo-2,6-difluoro-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C14H19BrF2NO2+ MolecularWeight: 351.206966

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=C(C=C(C=C2F)Br)F)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=C(C=C(C=C2F)Br)F)O

InChI

InChI=1S/C14H18BrF2NO2/c15-10-6-12(16)14(13(17)7-10)20-9-11(19)8-18-4-2-1-3-5-18/h6-7,11,19H,1-5,8-9H2/p+1/t11-/m0/s1