[1-methyl-4-(phenylcarbonyl)piperidin-1-ium-3-yl] 2-bromanylbenzoate chloride

Systemtic Name: [1-methyl-4-(phenylcarbonyl)piperidin-1-ium-3-yl] 2-bromanylbenzoate chloride Openeye Name: (4-benzoyl-1-methyl-piperidin-1-ium-3-yl) 2-bromobenzoate chloride CAS Name: 2-bromobenzoic acid (4-benzoyl-1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (4-benzoyl-1-methylpiperidin-1-ium-3-yl) 2-bromobenzoate chloride Traditional Name: 2-bromobenzoic acid (4-benzoyl-1-methyl-piperidin-1-ium-3-yl) ester chloride Formula: C20H21BrClNO3 MolecularWeight: 438.74264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C(C1)OC(=O)C2=CC=CC=C2Br)C(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[NH+]1CCC(C(C1)OC(=O)C2=CC=CC=C2Br)C(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H20BrNO3.ClH/c1-22-12-11-16(19(23)14-7-3-2-4-8-14)18(13-22)25-20(24)15-9-5-6-10-17(15)21;/h2-10,16,18H,11-13H2,1H3;1H