(1-methylpiperidin-1-ium-3-yl) 4-bromanylbenzoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-3-yl) 4-bromanylbenzoate chloride Openeye Name: (1-methylpiperidin-1-ium-3-yl) 4-bromobenzoate chloride CAS Name: 4-bromobenzoic acid (1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-3-yl) 4-bromobenzoate chloride Traditional Name: 4-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=C(C=C2)Br.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO2.ClH/c1-15-8-2-3-12(9-15)17-13(16)10-4-6-11(14)7-5-10;/h4-7,12H,2-3,8-9H2,1H3;1H