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

Systemtic Name: 1-methyl-4-(phenylmethyl)pyridin-1-ium; methyl sulfate Openeye Name: 4-benzyl-1-methyl-pyridin-1-ium; methyl sulfate CAS Name: 1-methyl-4-(phenylmethyl)pyridin-1-ium; methyl sulfate IUPAC Name: 4-benzyl-1-methylpyridin-1-ium; methyl sulfate Traditional Name: 4-benzyl-1-methyl-pyridin-1-ium; methyl sulfate Formula: C14H17NO4S MolecularWeight: 295.35408

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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;/p-1