(1-methylpiperidin-1-ium-4-yl) 3-bromanylbenzoate

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 3-bromanylbenzoate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 3-bromobenzoate CAS Name: 3-bromobenzoic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 3-bromobenzoate Traditional Name: 3-bromobenzoic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C13H17BrNO2+ MolecularWeight: 299.18358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO2/c1-15-7-5-12(6-8-15)17-13(16)10-3-2-4-11(14)9-10/h2-4,9,12H,5-8H2,1H3/p+1