(1-methylpiperidin-1-ium-4-yl) 5-bromanyl-2,3,4-trimethyl-benzoate

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 5-bromanyl-2,3,4-trimethyl-benzoate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 5-bromo-2,3,4-trimethyl-benzoate CAS Name: 5-bromo-2,3,4-trimethylbenzoic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 5-bromo-2,3,4-trimethylbenzoate Traditional Name: 5-bromo-2,3,4-trimethyl-benzoic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C16H23BrNO2+ MolecularWeight: 341.26332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1C)Br)C(=O)OC2CC[NH+](CC2)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1C)Br)C(=O)OC2CC[NH+](CC2)C)C

InChI

InChI=1S/C16H22BrNO2/c1-10-11(2)14(9-15(17)12(10)3)16(19)20-13-5-7-18(4)8-6-13/h9,13H,5-8H2,1-4H3/p+1