dimethyl(octyl)azanium; 2-(phosphonatomethylamino)ethanoate

Systemtic Name: dimethyl(octyl)azanium; 2-(phosphonatomethylamino)ethanoate Openeye Name: dimethyl(octyl)ammonium; 2-(phosphonatomethylamino)acetate CAS Name: dimethyl(octyl)ammonium; 2-(phosphonatomethylamino)acetate IUPAC Name: dimethyl(octyl)azanium; 2-(phosphonatomethylamino)acetate Traditional Name: dimethyl(octyl)ammonium; 2-(phosphonatomethylamino)acetate Formula: C33H77N4O5P MolecularWeight: 640.962041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[NH+](C)C.CCCCCCCC[NH+](C)C.CCCCCCCC[NH+](C)C.C(C(=O)[O-])NCP(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCC[NH+](C)C.CCCCCCCC[NH+](C)C.CCCCCCCC[NH+](C)C.C(C(=O)[O-])NCP(=O)([O-])[O-]

InChI

InChI=1S/3C10H23N.C3H8NO5P/c3*1-4-5-6-7-8-9-10-11(2)3;5-3(6)1-4-2-10(7,8)9/h3*4-10H2,1-3H3;4H,1-2H2,(H,5,6)(H2,7,8,9)