methyl hydrogen sulfate; 1-methyl-4-(phenylmethyl)pyridin-1-ium

Systemtic Name: methyl hydrogen sulfate; 1-methyl-4-(phenylmethyl)pyridin-1-ium Openeye Name: 4-benzyl-1-methyl-pyridin-1-ium; methyl hydrogen sulfate CAS Name: 1-methyl-4-(phenylmethyl)pyridin-1-ium; sulfuric acid methyl ester IUPAC Name: 4-benzyl-1-methylpyridin-1-ium; methyl hydrogen sulfate Traditional Name: 4-benzyl-1-methyl-pyridin-1-ium; sulfuric acid methyl ester Formula: C14H18NO4S+ MolecularWeight: 296.36202

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CC2=CC=CC=C2.COS(=O)(=O)O

Isomeric SMILES

C[N+]1=CC=C(C=C1)CC2=CC=CC=C2.COS(=O)(=O)O

InChI

InChI=1S/C13H14N.CH4O4S/c1-14-9-7-13(8-10-14)11-12-5-3-2-4-6-12;1-5-6(2,3)4/h2-10H,11H2,1H3;1H3,(H,2,3,4)/q+1;