3-azanylpentan-2-yl(dimethyl)azanium; methyl sulfate

Systemtic Name: 3-azanylpentan-2-yl(dimethyl)azanium; methyl sulfate Openeye Name: (2-amino-1-methyl-butyl)-dimethyl-ammonium; methyl sulfate CAS Name: 3-aminopentan-2-yl(dimethyl)ammonium; methyl sulfate IUPAC Name: 3-aminopentan-2-yl(dimethyl)azanium; methyl sulfate Traditional Name: (2-amino-1-methyl-butyl)-dimethyl-ammonium; methyl sulfate Formula: C8H22N2O4S MolecularWeight: 242.33628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)[NH+](C)C)N.COS(=O)(=O)[O-]

Isomeric SMILES

CCC(C(C)[NH+](C)C)N.COS(=O)(=O)[O-]

InChI

InChI=1S/C7H18N2.CH4O4S/c1-5-7(8)6(2)9(3)4;1-5-6(2,3)4/h6-7H,5,8H2,1-4H3;1H3,(H,2,3,4)