2-(2-methylprop-2-enoyloxy)propyl-pentan-3-yl-azanium; methyl sulfate

Systemtic Name: 2-(2-methylprop-2-enoyloxy)propyl-pentan-3-yl-azanium; methyl sulfate Openeye Name: 1-ethylpropyl-[2-(2-methylprop-2-enoyloxy)propyl]ammonium; methyl sulfate CAS Name: 2-(2-methyl-1-oxoprop-2-enoxy)propyl-pentan-3-ylammonium; methyl sulfate IUPAC Name: 2-(2-methylprop-2-enoyloxy)propyl-pentan-3-ylazanium; methyl sulfate Traditional Name: 1-ethylpropyl(2-methacryloyloxypropyl)ammonium; methyl sulfate Formula: C13H27NO6S MolecularWeight: 325.42158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CC(C)OC(=O)C(=C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCC(CC)[NH2+]CC(C)OC(=O)C(=C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H23NO2.CH4O4S/c1-6-11(7-2)13-8-10(5)15-12(14)9(3)4;1-5-6(2,3)4/h10-11,13H,3,6-8H2,1-2,4-5H3;1H3,(H,2,3,4)