methyl sulfate; trimethyl-[3-(2-methylpropanoyloxy)phenyl]azanium

Systemtic Name: methyl sulfate; trimethyl-[3-(2-methylpropanoyloxy)phenyl]azanium Openeye Name: methyl sulfate; trimethyl-[3-(2-methylpropanoyloxy)phenyl]ammonium CAS Name: methyl sulfate; trimethyl-[3-(2-methyl-1-oxopropoxy)phenyl]ammonium IUPAC Name: methyl sulfate; trimethyl-[3-(2-methylpropanoyloxy)phenyl]azanium Traditional Name: (3-isobutyryloxyphenyl)-trimethyl-ammonium; methyl sulfate Formula: C14H23NO6S MolecularWeight: 333.40052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CC(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H20NO2.CH4O4S/c1-10(2)13(15)16-12-8-6-7-11(9-12)14(3,4)5;1-5-6(2,3)4/h6-10H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1