[(E)-docos-13-enyl]-trimethyl-azanium; 2-oxidanylbenzoate

Systemtic Name: [(E)-docos-13-enyl]-trimethyl-azanium; 2-oxidanylbenzoate Openeye Name: [(E)-docos-13-enyl]-trimethyl-ammonium; 2-hydroxybenzoate CAS Name: [(E)-docos-13-enyl]-trimethylammonium; 2-hydroxybenzoate IUPAC Name: [(E)-docos-13-enyl]-trimethylazanium; 2-hydroxybenzoate Traditional Name: [(E)-docos-13-enyl]-trimethyl-ammonium; salicylate Formula: C32H57NO3 MolecularWeight: 503.79988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC[N+](C)(C)C.C1=CC=C(C(=C1)C(=O)[O-])O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC[N+](C)(C)C.C1=CC=C(C(=C1)C(=O)[O-])O

InChI

InChI=1S/C25H52N.C7H6O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)4;8-6-4-2-1-3-5(6)7(9)10/h12-13H,5-11,14-25H2,1-4H3;1-4,8H,(H,9,10)/q+1;/p-1/b13-12+;