3-[2-[4-tert-butyl-2-(hydroxymethyl)phenoxy]ethanoylamino]propyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 3-[2-[4-tert-butyl-2-(hydroxymethyl)phenoxy]ethanoylamino]propyl-trimethyl-azanium; methyl sulfate Openeye Name: 3-[[2-[4-tert-butyl-2-(hydroxymethyl)phenoxy]acetyl]amino]propyl-trimethyl-ammonium; methyl sulfate CAS Name: 3-[[2-[4-tert-butyl-2-(hydroxymethyl)phenoxy]-1-oxoethyl]amino]propyl-trimethylammonium; methyl sulfate IUPAC Name: 3-[[2-[4-tert-butyl-2-(hydroxymethyl)phenoxy]acetyl]amino]propyl-trimethylazanium; methyl sulfate Traditional Name: 3-[[2-(4-tert-butyl-2-methylol-phenoxy)acetyl]amino]propyl-trimethyl-ammonium; methyl sulfate Formula: C20H36N2O7S MolecularWeight: 448.57404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NCCC[N+](C)(C)C)CO.COS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NCCC[N+](C)(C)C)CO.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H32N2O3.CH4O4S/c1-19(2,3)16-8-9-17(15(12-16)13-22)24-14-18(23)20-10-7-11-21(4,5)6;1-5-6(2,3)4/h8-9,12,22H,7,10-11,13-14H2,1-6H3;1H3,(H,2,3,4)