methyl 4-methoxy-1-(phenylmethyl)pyridin-1-ium-2-carboxylate iodide

Systemtic Name: methyl 4-methoxy-1-(phenylmethyl)pyridin-1-ium-2-carboxylate iodide Openeye Name: methyl 1-benzyl-4-methoxy-pyridin-1-ium-2-carboxylate iodide CAS Name: 4-methoxy-1-(phenylmethyl)-2-pyridin-1-iumcarboxylic acid methyl ester iodide IUPAC Name: methyl 1-benzyl-4-methoxypyridin-1-ium-2-carboxylate iodide Traditional Name: 1-benzyl-4-methoxy-pyridin-1-ium-2-carboxylic acid methyl ester iodide Formula: C15H16INO3 MolecularWeight: 385.19691

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=[N+](C=C1)CC2=CC=CC=C2)C(=O)OC.[I-]

Isomeric SMILES

COC1=CC(=[N+](C=C1)CC2=CC=CC=C2)C(=O)OC.[I-]

InChI

InChI=1S/C15H16NO3.HI/c1-18-13-8-9-16(14(10-13)15(17)19-2)11-12-6-4-3-5-7-12;/h3-10H,11H2,1-2H3;1H/q+1;/p-1