(1-methylpiperidin-1-ium-3-yl) 3-bromanylbenzoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-3-yl) 3-bromanylbenzoate chloride Openeye Name: (1-methylpiperidin-1-ium-3-yl) 3-bromobenzoate chloride CAS Name: 3-bromobenzoic acid (1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-3-yl) 3-bromobenzoate chloride Traditional Name: 3-bromobenzoic acid (1-methylpiperidin-1-ium-3-yl) ester chloride Formula: C13H17BrClNO2 MolecularWeight: 334.63658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=CC(=CC=C2)Br.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)OC(=O)C2=CC(=CC=C2)Br.[Cl-]

InChI

InChI=1S/C13H16BrNO2.ClH/c1-15-7-3-6-12(9-15)17-13(16)10-4-2-5-11(14)8-10;/h2,4-5,8,12H,3,6-7,9H2,1H3;1H