butyl-dimethyl-(2-oxidanyldodecyl)azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: butyl-dimethyl-(2-oxidanyldodecyl)azanium; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: butyl-(2-hydroxydodecyl)-dimethyl-ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: butyl-(2-hydroxydodecyl)-dimethylammonium; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: butyl-(2-hydroxydodecyl)-dimethylazanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: butyl-(2-hydroxydodecyl)-dimethyl-ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C22H43NO5 MolecularWeight: 401.58052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C[N+](C)(C)CCCC)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCCCCCC(C[N+](C)(C)CCCC)O.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C18H40NO.C4H4O4/c1-5-7-9-10-11-12-13-14-15-18(20)17-19(3,4)16-8-6-2;5-3(6)1-2-4(7)8/h18,20H,5-17H2,1-4H3;1-2H,(H,5,6)(H,7,8)/q+1;/p-1/b;2-1+