(2R)-1-(4-bromanylphenoxy)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(4-bromanylphenoxy)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(4-bromophenoxy)propan-2-ol CAS Name: (2R)-1-(4-bromophenoxy)-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(4-bromophenoxy)propan-2-ol Traditional Name: (2R)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(4-bromophenoxy)propan-2-ol Formula: C21H27BrNO2+ MolecularWeight: 405.34858

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)C[C@H](COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H26BrNO2/c22-19-6-8-21(9-7-19)25-16-20(24)15-23-12-10-18(11-13-23)14-17-4-2-1-3-5-17/h1-9,18,20,24H,10-16H2/p+1/t20-/m1/s1