propane-1,2,3-triol; 1,1,3,4-tetrapropylpyrrol-1-ium-2,5-dione

Systemtic Name: propane-1,2,3-triol; 1,1,3,4-tetrapropylpyrrol-1-ium-2,5-dione Openeye Name: glycerol; 1,1,3,4-tetrapropylpyrrol-1-ium-2,5-dione CAS Name: propane-1,2,3-triol; 1,1,3,4-tetrapropylpyrrol-1-ium-2,5-dione IUPAC Name: propane-1,2,3-triol; 1,1,3,4-tetrapropylpyrrol-1-ium-2,5-dione Traditional Name: glycerol; 1,1,3,4-tetrapropyl-3-pyrrolin-1-ium-2,5-quinone Formula: C22H44NO8+ MolecularWeight: 450.58666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)[N+](C1=O)(CCC)CCC)CCC.C(C(CO)O)O.C(C(CO)O)O

Isomeric SMILES

CCCC1=C(C(=O)[N+](C1=O)(CCC)CCC)CCC.C(C(CO)O)O.C(C(CO)O)O

InChI

InChI=1S/C16H28NO2.2C3H8O3/c1-5-9-13-14(10-6-2)16(19)17(11-7-3,12-8-4)15(13)18;2*4-1-3(6)2-5/h5-12H2,1-4H3;2*3-6H,1-2H2/q+1;;