methyl sulfate; methyl(undec-10-en-5-yl)azanium

Systemtic Name: methyl sulfate; methyl(undec-10-en-5-yl)azanium Openeye Name: 1-butylhept-6-enyl(methyl)ammonium; methyl sulfate CAS Name: methyl sulfate; methyl(undec-10-en-5-yl)ammonium IUPAC Name: methyl sulfate; methyl(undec-10-en-5-yl)azanium Traditional Name: 1-butylhept-6-enyl(methyl)ammonium; methyl sulfate Formula: C13H29NO4S MolecularWeight: 295.43866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCC=C)[NH2+]C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCC(CCCCC=C)[NH2+]C.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H25N.CH4O4S/c1-4-6-8-9-11-12(13-3)10-7-5-2;1-5-6(2,3)4/h4,12-13H,1,5-11H2,2-3H3;1H3,(H,2,3,4)