2-(4-bromophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-bromophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-bromophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(4-bromophenyl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-bromophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-bromophenyl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C21H26BrN2O+ MolecularWeight: 402.34794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O/c22-20-10-8-17(9-11-20)14-21(25)23-15-18-6-2-3-7-19(18)16-24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-16H2,(H,23,25)/p+1