1-methoxy-2-(phenylmethyl)pyridin-1-ium; methyl hydrogen sulfate

Systemtic Name: 1-methoxy-2-(phenylmethyl)pyridin-1-ium; methyl hydrogen sulfate Openeye Name: 2-benzyl-1-methoxy-pyridin-1-ium; methyl hydrogen sulfate CAS Name: 1-methoxy-2-(phenylmethyl)pyridin-1-ium; sulfuric acid methyl ester IUPAC Name: 2-benzyl-1-methoxypyridin-1-ium; methyl hydrogen sulfate Traditional Name: 2-benzyl-1-methoxy-pyridin-1-ium; sulfuric acid methyl ester Formula: C14H18NO5S+ MolecularWeight: 312.36142

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Descriptors Computed from Structure

Canonical SMILES:

CO[N+]1=CC=CC=C1CC2=CC=CC=C2.COS(=O)(=O)O

Isomeric SMILES

CO[N+]1=CC=CC=C1CC2=CC=CC=C2.COS(=O)(=O)O

InChI

InChI=1S/C13H14NO.CH4O4S/c1-15-14-10-6-5-9-13(14)11-12-7-3-2-4-8-12;1-5-6(2,3)4/h2-10H,11H2,1H3;1H3,(H,2,3,4)/q+1;