1-piperidin-1-ium-1-ylpropan-2-yl 2-(4-bromanylphenoxy)ethanoate chloride

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl 2-(4-bromanylphenoxy)ethanoate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) 2-(4-bromophenoxy)acetate chloride CAS Name: 2-(4-bromophenoxy)acetic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl 2-(4-bromophenoxy)acetate chloride Traditional Name: 2-(4-bromophenoxy)acetic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C16H23BrClNO3 MolecularWeight: 392.71572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)COC2=CC=C(C=C2)Br.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCCCC1)OC(=O)COC2=CC=C(C=C2)Br.[Cl-]

InChI

InChI=1S/C16H22BrNO3.ClH/c1-13(11-18-9-3-2-4-10-18)21-16(19)12-20-15-7-5-14(17)6-8-15;/h5-8,13H,2-4,9-12H2,1H3;1H