2-(4-bromanylphenoxy)-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]ethanamide Openeye Name: 2-(4-bromophenoxy)-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]acetamide CAS Name: 2-(4-bromophenoxy)-N-[(2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]acetamide Traditional Name: 2-(4-bromophenoxy)-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]acetamide Formula: C22H28BrN2O2+ MolecularWeight: 432.37392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)COC2=CC=C(C=C2)Br)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)COC2=CC=C(C=C2)Br)[NH+]3CCCCC3

InChI

InChI=1S/C22H27BrN2O2/c1-17-5-7-18(8-6-17)21(25-13-3-2-4-14-25)15-24-22(26)16-27-20-11-9-19(23)10-12-20/h5-12,21H,2-4,13-16H2,1H3,(H,24,26)/p+1/t21-/m0/s1