[(3S)-1-methylpiperidin-1-ium-3-yl] 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 5-bromanyl-2-chloranyl-benzoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C13H16BrClNO2+ MolecularWeight: 333.62864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)OC(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C13H15BrClNO2/c1-16-6-2-3-10(8-16)18-13(17)11-7-9(14)4-5-12(11)15/h4-5,7,10H,2-3,6,8H2,1H3/p+1/t10-/m0/s1