[cyano(phenyl)methyl]-trimethyl-azanium; methyl sulfate

Systemtic Name: [cyano(phenyl)methyl]-trimethyl-azanium; methyl sulfate Openeye Name: [cyano(phenyl)methyl]-trimethyl-ammonium; methyl sulfate CAS Name: [cyano(phenyl)methyl]-trimethylammonium; methyl sulfate IUPAC Name: [cyano(phenyl)methyl]-trimethylazanium; methyl sulfate Traditional Name: [cyano(phenyl)methyl]-trimethyl-ammonium; methyl sulfate Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(C#N)C1=CC=CC=C1.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C(C#N)C1=CC=CC=C1.COS(=O)(=O)[O-]

InChI

InChI=1S/C11H15N2.CH4O4S/c1-13(2,3)11(9-12)10-7-5-4-6-8-10;1-5-6(2,3)4/h4-8,11H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1