methyl sulfate; N,N,1-trimethyl-2,3-dihydro-1H-pyrrol-1-ium-5-amine

Systemtic Name: methyl sulfate; N,N,1-trimethyl-2,3-dihydro-1H-pyrrol-1-ium-5-amine Openeye Name: methyl sulfate; N,N,1-trimethyl-2,3-dihydro-1H-pyrrol-1-ium-5-amine CAS Name: methyl sulfate; N,N,1-trimethyl-2,3-dihydro-1H-pyrrol-1-ium-5-amine IUPAC Name: methyl sulfate; N,N,1-trimethyl-2,3-dihydro-1H-pyrrol-1-ium-5-amine Traditional Name: dimethyl-(1-methyl-2-pyrrolin-1-ium-2-yl)amine; methyl sulfate Formula: C8H18N2O4S MolecularWeight: 238.30452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC=C1N(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

C[NH+]1CCC=C1N(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C7H14N2.CH4O4S/c1-8(2)7-5-4-6-9(7)3;1-5-6(2,3)4/h5H,4,6H2,1-3H3;1H3,(H,2,3,4)