dimethyl-[3-oxidanylidene-3-(propan-2-ylamino)propyl]-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium; methyl sulfate

Systemtic Name: dimethyl-[3-oxidanylidene-3-(propan-2-ylamino)propyl]-[(2-oxidanylidenepyrrolidin-1-yl)methyl]azanium; methyl sulfate Openeye Name: [3-(isopropylamino)-3-oxo-propyl]-dimethyl-[(2-oxopyrrolidin-1-yl)methyl]ammonium; methyl sulfate CAS Name: dimethyl-[3-oxo-3-(propan-2-ylamino)propyl]-[(2-oxo-1-pyrrolidinyl)methyl]ammonium; methyl sulfate IUPAC Name: dimethyl-[3-oxo-3-(propan-2-ylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium; methyl sulfate Traditional Name: [3-(isopropylamino)-3-keto-propyl]-[(2-ketopyrrolidino)methyl]-dimethyl-ammonium; methyl sulfate Formula: C14H29N3O6S MolecularWeight: 367.46156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CC[N+](C)(C)CN1CCCC1=O.COS(=O)(=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CC[N+](C)(C)CN1CCCC1=O.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H25N3O2.CH4O4S/c1-11(2)14-12(17)7-9-16(3,4)10-15-8-5-6-13(15)18;1-5-6(2,3)4/h11H,5-10H2,1-4H3;1H3,(H,2,3,4)