methyl 1-methylquinolin-1-ium-6-carboxylate bromide

Systemtic Name: methyl 1-methylquinolin-1-ium-6-carboxylate bromide Openeye Name: methyl 1-methylquinolin-1-ium-6-carboxylate bromide CAS Name: 1-methyl-6-quinolin-1-iumcarboxylic acid methyl ester bromide IUPAC Name: methyl 1-methylquinolin-1-ium-6-carboxylate bromide Traditional Name: 1-methylquinolin-1-ium-6-carboxylic acid methyl ester bromide Formula: C12H12BrNO2 MolecularWeight: 282.13318

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C=CC(=C2)C(=O)OC.[Br-]

Isomeric SMILES

C[N+]1=CC=CC2=C1C=CC(=C2)C(=O)OC.[Br-]

InChI

InChI=1S/C12H12NO2.BrH/c1-13-7-3-4-9-8-10(12(14)15-2)5-6-11(9)13;/h3-8H,1-2H3;1H/q+1;/p-1