dimethyl-[(E)-octadec-9-enyl]azanium; 2-(phosphonatomethylamino)ethanoate

Systemtic Name: dimethyl-[(E)-octadec-9-enyl]azanium; 2-(phosphonatomethylamino)ethanoate Openeye Name: dimethyl-[(E)-octadec-9-enyl]ammonium; 2-(phosphonatomethylamino)acetate CAS Name: dimethyl-[(E)-octadec-9-enyl]ammonium; 2-(phosphonatomethylamino)acetate IUPAC Name: dimethyl-[(E)-octadec-9-enyl]azanium; 2-(phosphonatomethylamino)acetate Traditional Name: dimethyl-[(E)-octadec-9-enyl]ammonium; 2-(phosphonatomethylamino)acetate Formula: C63H131N4O5P MolecularWeight: 1055.711801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C20H41N.C3H8NO5P/c3*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;5-3(6)1-4-2-10(7,8)9/h3*11-12H,4-10,13-20H2,1-3H3;4H,1-2H2,(H,5,6)(H2,7,8,9)/b3*12-11+;