butyl-pentan-3-yl-prop-2-enoyloxy-azanium; methyl sulfate

Systemtic Name: butyl-pentan-3-yl-prop-2-enoyloxy-azanium; methyl sulfate Openeye Name: butyl-(1-ethylpropyl)-prop-2-enoyloxy-ammonium; methyl sulfate CAS Name: butyl-(1-oxoprop-2-enoxy)-pentan-3-ylammonium; methyl sulfate IUPAC Name: butyl-pentan-3-yl-prop-2-enoyloxyazanium; methyl sulfate Traditional Name: acryloyloxy-butyl-(1-ethylpropyl)ammonium; methyl sulfate Formula: C13H27NO6S MolecularWeight: 325.42158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C(CC)CC)OC(=O)C=C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCC[NH+](C(CC)CC)OC(=O)C=C.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H23NO2.CH4O4S/c1-5-9-10-13(11(6-2)7-3)15-12(14)8-4;1-5-6(2,3)4/h8,11H,4-7,9-10H2,1-3H3;1H3,(H,2,3,4)