1-piperidin-1-ium-1-ylpropan-2-yl 4-bromanylbenzoate chloride

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl 4-bromanylbenzoate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) 4-bromobenzoate chloride CAS Name: 4-bromobenzoic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl 4-bromobenzoate chloride Traditional Name: 4-bromobenzoic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C15H21BrClNO2 MolecularWeight: 362.68974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2=CC=C(C=C2)Br.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCCCC1)OC(=O)C2=CC=C(C=C2)Br.[Cl-]

InChI

InChI=1S/C15H20BrNO2.ClH/c1-12(11-17-9-3-2-4-10-17)19-15(18)13-5-7-14(16)8-6-13;/h5-8,12H,2-4,9-11H2,1H3;1H