3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl-trimethyl-azanium; methyl sulfate Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)propyl-trimethyl-ammonium; methyl sulfate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propyl-trimethylammonium; methyl sulfate IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)propyl-trimethylazanium; methyl sulfate Traditional Name: methyl sulfate; trimethyl(3-phthalimidopropyl)ammonium Formula: C15H22N2O6S MolecularWeight: 358.40998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O.COS(=O)(=O)[O-]

InChI

InChI=1S/C14H19N2O2.CH4O4S/c1-16(2,3)10-6-9-15-13(17)11-7-4-5-8-12(11)14(15)18;1-5-6(2,3)4/h4-5,7-8H,6,9-10H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1