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

Systemtic Name: (2S)-1-(4-bromanylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(4-bromophenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(4-bromophenoxy)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-bromophenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-bromophenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C14H21BrNO2+ MolecularWeight: 315.22604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)Br)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C14H20BrNO2/c15-12-4-6-14(7-5-12)18-11-13(17)10-16-8-2-1-3-9-16/h4-7,13,17H,1-3,8-11H2/p+1/t13-/m0/s1