2-(3-bromanylphenoxy)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(3-bromanylphenoxy)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3-bromophenoxy)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(3-bromophenoxy)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-bromophenoxy)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(3-bromophenoxy)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C21H26BrN2O2+ MolecularWeight: 418.34734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)COC3=CC(=CC=C3)Br

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H25BrN2O2/c22-19-9-6-10-20(13-19)26-16-21(25)23-14-17-7-2-3-8-18(17)15-24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14-16H2,(H,23,25)/p+1