(1-methylpiperidin-1-ium-3-yl) 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: (1-methylpiperidin-1-ium-3-yl) 2-(4-bromanylphenoxy)ethanoate Openeye Name: (1-methylpiperidin-1-ium-3-yl) 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid (1-methyl-3-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-3-yl) 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid (1-methylpiperidin-1-ium-3-yl) ester Formula: C14H19BrNO3+ MolecularWeight: 329.20956

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+]1CCCC(C1)OC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H18BrNO3/c1-16-8-2-3-13(9-16)19-14(17)10-18-12-6-4-11(15)5-7-12/h4-7,13H,2-3,8-10H2,1H3/p+1