hexadecylazanium; 4-oxidanylidene-4-[(4-sulfamoylphenyl)amino]butanoate

Systemtic Name: hexadecylazanium; 4-oxidanylidene-4-[(4-sulfamoylphenyl)amino]butanoate Openeye Name: hexadecylammonium; 4-oxo-4-(4-sulfamoylanilino)butanoate CAS Name: hexadecylammonium; 4-oxo-4-(4-sulfamoylanilino)butanoate IUPAC Name: hexadecylazanium; 4-oxo-4-(4-sulfamoylanilino)butanoate Traditional Name: cetylammonium; 4-keto-4-(4-sulfamoylanilino)butyrate Formula: C26H47N3O5S MolecularWeight: 513.73348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH3+].C1=CC(=CC=C1NC(=O)CCC(=O)[O-])S(=O)(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH3+].C1=CC(=CC=C1NC(=O)CCC(=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C16H35N.C10H12N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h2-17H2,1H3;1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)