ethyl-dimethyl-[(E)-3-phosphonopentacos-16-en-3-yl]azanium

Systemtic Name: ethyl-dimethyl-[(E)-3-phosphonopentacos-16-en-3-yl]azanium Openeye Name: ethyl-[(E)-1-ethyl-1-phosphono-tricos-14-enyl]-dimethyl-ammonium CAS Name: ethyl-dimethyl-[(E)-3-phosphonopentacos-16-en-3-yl]ammonium IUPAC Name: ethyl-dimethyl-[(E)-3-phosphonopentacos-16-en-3-yl]azanium Traditional Name: ethyl-[(E)-1-ethyl-1-phosphono-tricos-14-enyl]-dimethyl-ammonium Formula: C29H61NO3P+ MolecularWeight: 502.773301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCCC(CC)([N+](C)(C)CC)P(=O)(O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCCC(CC)([N+](C)(C)CC)P(=O)(O)O

InChI

InChI=1S/C29H60NO3P/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(7-2,34(31,32)33)30(4,5)8-3/h15-16H,6-14,17-28H2,1-5H3,(H-,31,32,33)/p+1/b16-15+