3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]hept-6-enoate

Systemtic Name: 3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]hept-6-enoate Openeye Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-hept-6-enoate CAS Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-6-heptenoate IUPAC Name: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxohept-6-enoate Traditional Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-hept-6-enoate Formula: C12H21NO4 MolecularWeight: 243.29944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(C(C(=O)CCC=C)C(=O)[O-])O

Isomeric SMILES

C[N+](C)(C)CC(C(C(=O)CCC=C)C(=O)[O-])O

InChI

InChI=1S/C12H21NO4/c1-5-6-7-9(14)11(12(16)17)10(15)8-13(2,3)4/h5,10-11,15H,1,6-8H2,2-4H3