dimethyl 1-(phenylmethyl)pyridin-1-ium-3,4-dicarboxylate bromide

Systemtic Name: dimethyl 1-(phenylmethyl)pyridin-1-ium-3,4-dicarboxylate bromide Openeye Name: dimethyl 1-benzylpyridin-1-ium-3,4-dicarboxylate bromide CAS Name: 1-(phenylmethyl)pyridin-1-ium-3,4-dicarboxylic acid dimethyl ester bromide IUPAC Name: dimethyl 1-benzylpyridin-1-ium-3,4-dicarboxylate bromide Traditional Name: 1-benzylpyridin-1-ium-3,4-dicarboxylic acid dimethyl ester bromide Formula: C16H16BrNO4 MolecularWeight: 366.20654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=[N+](C=C1)CC2=CC=CC=C2)C(=O)OC.[Br-]

Isomeric SMILES

COC(=O)C1=C(C=[N+](C=C1)CC2=CC=CC=C2)C(=O)OC.[Br-]

InChI

InChI=1S/C16H16NO4.BrH/c1-20-15(18)13-8-9-17(11-14(13)16(19)21-2)10-12-6-4-3-5-7-12;/h3-9,11H,10H2,1-2H3;1H/q+1;/p-1