2-(2-methylphenyl)propan-2-ylazanium; methyl sulfate

Systemtic Name: 2-(2-methylphenyl)propan-2-ylazanium; methyl sulfate Openeye Name: [1-methyl-1-(o-tolyl)ethyl]ammonium; methyl sulfate CAS Name: 2-(2-methylphenyl)propan-2-ylammonium; methyl sulfate IUPAC Name: 2-(2-methylphenyl)propan-2-ylazanium; methyl sulfate Traditional Name: [1-methyl-1-(o-tolyl)ethyl]ammonium; methyl sulfate Formula: C11H19NO4S MolecularWeight: 261.33786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)(C)[NH3+].COS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C)(C)[NH3+].COS(=O)(=O)[O-]

InChI

InChI=1S/C10H15N.CH4O4S/c1-8-6-4-5-7-9(8)10(2,3)11;1-5-6(2,3)4/h4-7H,11H2,1-3H3;1H3,(H,2,3,4)