[1-(2-acetamidophenoxy)-3-ethyl-pentan-3-yl]azanium; methyl sulfate

Systemtic Name: [1-(2-acetamidophenoxy)-3-ethyl-pentan-3-yl]azanium; methyl sulfate Openeye Name: [3-(2-acetamidophenoxy)-1,1-diethyl-propyl]ammonium; methyl sulfate CAS Name: [1-(2-acetamidophenoxy)-3-ethylpentan-3-yl]ammonium; methyl sulfate IUPAC Name: [1-(2-acetamidophenoxy)-3-ethylpentan-3-yl]azanium; methyl sulfate Traditional Name: [3-(2-acetamidophenoxy)-1,1-diethyl-propyl]ammonium; methyl sulfate Formula: C16H28N2O6S MolecularWeight: 376.46832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCOC1=CC=CC=C1NC(=O)C)[NH3+].COS(=O)(=O)[O-]

Isomeric SMILES

CCC(CC)(CCOC1=CC=CC=C1NC(=O)C)[NH3+].COS(=O)(=O)[O-]

InChI

InChI=1S/C15H24N2O2.CH4O4S/c1-4-15(16,5-2)10-11-19-14-9-7-6-8-13(14)17-12(3)18;1-5-6(2,3)4/h6-9H,4-5,10-11,16H2,1-3H3,(H,17,18);1H3,(H,2,3,4)