dimethyl-[(E)-octadec-1-enyl]-(2-phosphonooxyethyl)azanium

Systemtic Name: dimethyl-[(E)-octadec-1-enyl]-(2-phosphonooxyethyl)azanium Openeye Name: dimethyl-[(E)-octadec-1-enyl]-(2-phosphonooxyethyl)ammonium CAS Name: dimethyl-[(E)-octadec-1-enyl]-(2-phosphonooxyethyl)ammonium IUPAC Name: dimethyl-[(E)-octadec-1-enyl]-(2-phosphonooxyethyl)azanium Traditional Name: dimethyl-[(E)-octadec-1-enyl]-(2-phosphonooxyethyl)ammonium Formula: C22H47NO4P+ MolecularWeight: 420.586641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=C[N+](C)(C)CCOP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/[N+](C)(C)CCOP(=O)(O)O

InChI

InChI=1S/C22H46NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,3)21-22-27-28(24,25)26/h19-20H,4-18,21-22H2,1-3H3,(H-,24,25,26)/p+1/b20-19+