methyl sulfate; pentan-3-yl(2-prop-2-enoyloxypropyl)azanium

Systemtic Name: methyl sulfate; pentan-3-yl(2-prop-2-enoyloxypropyl)azanium Openeye Name: 1-ethylpropyl(2-prop-2-enoyloxypropyl)ammonium; methyl sulfate CAS Name: methyl sulfate; 2-(1-oxoprop-2-enoxy)propyl-pentan-3-ylammonium IUPAC Name: methyl sulfate; pentan-3-yl(2-prop-2-enoyloxypropyl)azanium Traditional Name: 2-acryloyloxypropyl(1-ethylpropyl)ammonium; methyl sulfate Formula: C12H25NO6S MolecularWeight: 311.395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO2.CH4O4S/c1-5-10(6-2)12-8-9(4)14-11(13)7-3;1-5-6(2,3)4/h7,9-10,12H,3,5-6,8H2,1-2,4H3;1H3,(H,2,3,4)