(3-ethyl-4-prop-2-enoyloxy-heptan-3-yl)azanium; methyl sulfate

Systemtic Name: (3-ethyl-4-prop-2-enoyloxy-heptan-3-yl)azanium; methyl sulfate Openeye Name: (1,1-diethyl-2-prop-2-enoyloxy-pentyl)ammonium; methyl sulfate CAS Name: [3-ethyl-4-(1-oxoprop-2-enoxy)heptan-3-yl]ammonium; methyl sulfate IUPAC Name: (3-ethyl-4-prop-2-enoyloxyheptan-3-yl)azanium; methyl sulfate Traditional Name: (2-acryloyloxy-1,1-diethyl-pentyl)ammonium; methyl sulfate Formula: C13H27NO6S MolecularWeight: 325.42158

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)(CC)[NH3+])OC(=O)C=C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCC(C(CC)(CC)[NH3+])OC(=O)C=C.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H23NO2.CH4O4S/c1-5-9-10(15-11(14)6-2)12(13,7-3)8-4;1-5-6(2,3)4/h6,10H,2,5,7-9,13H2,1,3-4H3;1H3,(H,2,3,4)