3-(2-methylpiperidin-1-ium-1-yl)propyl 4-bromanylbenzoate chloride

Systemtic Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-bromanylbenzoate chloride Openeye Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-bromobenzoate chloride CAS Name: 4-bromobenzoic acid 3-(2-methyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-bromobenzoate chloride Traditional Name: 4-bromobenzoic acid 3-(2-methylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C16H23BrClNO2 MolecularWeight: 376.71632

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)Br.[Cl-]

Isomeric SMILES

CC1CCCC[NH+]1CCCOC(=O)C2=CC=C(C=C2)Br.[Cl-]

InChI

InChI=1S/C16H22BrNO2.ClH/c1-13-5-2-3-10-18(13)11-4-12-20-16(19)14-6-8-15(17)9-7-14;/h6-9,13H,2-5,10-12H2,1H3;1H