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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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