N,N-dimethyl-1-propan-2-yl-2,3-dihydro-1H-pyrrol-1-ium-5-amine; methyl sulfate

Systemtic Name: N,N-dimethyl-1-propan-2-yl-2,3-dihydro-1H-pyrrol-1-ium-5-amine; methyl sulfate Openeye Name: 1-isopropyl-N,N-dimethyl-2,3-dihydro-1H-pyrrol-1-ium-5-amine; methyl sulfate CAS Name: N,N-dimethyl-1-propan-2-yl-2,3-dihydro-1H-pyrrol-1-ium-5-amine; methyl sulfate IUPAC Name: N,N-dimethyl-1-propan-2-yl-2,3-dihydro-1H-pyrrol-1-ium-5-amine; methyl sulfate Traditional Name: (1-isopropyl-2-pyrrolin-1-ium-2-yl)-dimethyl-amine; methyl sulfate Formula: C10H22N2O4S MolecularWeight: 266.35768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18N2.CH4O4S/c1-8(2)11-7-5-6-9(11)10(3)4;1-5-6(2,3)4/h6,8H,5,7H2,1-4H3;1H3,(H,2,3,4)