methyl 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate bromide

Systemtic Name: methyl 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate bromide Openeye Name: methyl 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate bromide CAS Name: 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid methyl ester bromide IUPAC Name: methyl 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate bromide Traditional Name: 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid methyl ester bromide Formula: C8H14BrNO2 MolecularWeight: 236.10626

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC=C(C1)C(=O)OC.[Br-]

Isomeric SMILES

C[NH+]1CCC=C(C1)C(=O)OC.[Br-]

InChI

InChI=1S/C8H13NO2.BrH/c1-9-5-3-4-7(6-9)8(10)11-2;/h4H,3,5-6H2,1-2H3;1H