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

Systemtic Name: methyl sulfate; pentan-3-yl(2-prop-2-enoyloxyethyl)azanium Openeye Name: 1-ethylpropyl(2-prop-2-enoyloxyethyl)ammonium; methyl sulfate CAS Name: methyl sulfate; 2-(1-oxoprop-2-enoxy)ethyl-pentan-3-ylammonium IUPAC Name: methyl sulfate; pentan-3-yl(2-prop-2-enoyloxyethyl)azanium Traditional Name: 2-acryloyloxyethyl(1-ethylpropyl)ammonium; methyl sulfate Formula: C11H23NO6S MolecularWeight: 297.36842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19NO2.CH4O4S/c1-4-9(5-2)11-7-8-13-10(12)6-3;1-5-6(2,3)4/h6,9,11H,3-5,7-8H2,1-2H3;1H3,(H,2,3,4)