(2R)-N-[4-bromanyl-2-(phenylcarbonyl)phenyl]-2-piperidin-1-ium-1-yl-propanamide

Systemtic Name: (2R)-N-[4-bromanyl-2-(phenylcarbonyl)phenyl]-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2R)-N-(2-benzoyl-4-bromo-phenyl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2R)-N-(2-benzoyl-4-bromophenyl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2R)-N-(2-benzoyl-4-bromophenyl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2R)-N-(2-benzoyl-4-bromo-phenyl)-2-piperidin-1-ium-1-yl-propionamide Formula: C21H24BrN2O2+ MolecularWeight: 416.33146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C21H23BrN2O2/c1-15(24-12-6-3-7-13-24)21(26)23-19-11-10-17(22)14-18(19)20(25)16-8-4-2-5-9-16/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,23,26)/p+1/t15-/m1/s1