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

Systemtic Name: 1-(4-bromanylphenoxy)-3-[1-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol chloride Openeye Name: 1-(1-benzylpiperidin-1-ium-1-yl)-3-(4-bromophenoxy)propan-2-ol chloride CAS Name: 1-(4-bromophenoxy)-3-[1-(phenylmethyl)-1-piperidin-1-iumyl]-2-propanol chloride IUPAC Name: 1-(1-benzylpiperidin-1-ium-1-yl)-3-(4-bromophenoxy)propan-2-ol chloride Traditional Name: 1-(1-benzylpiperidin-1-ium-1-yl)-3-(4-bromophenoxy)propan-2-ol chloride Formula: C21H27BrClNO2 MolecularWeight: 440.80158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)Br)O.[Cl-]

Isomeric SMILES

C1CC[N+](CC1)(CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)Br)O.[Cl-]

InChI

InChI=1S/C21H27BrNO2.ClH/c22-19-9-11-21(12-10-19)25-17-20(24)16-23(13-5-2-6-14-23)15-18-7-3-1-4-8-18;/h1,3-4,7-12,20,24H,2,5-6,13-17H2;1H/q+1;/p-1