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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+]1CCC(CC1)OC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H18BrNO3/c1-16-8-6-13(7-9-16)19-14(17)10-18-12-4-2-11(15)3-5-12/h2-5,13H,6-10H2,1H3/p+1