4-[2,3-bis(3,7,11-trimethyldodecoxy)propoxy-oxidanyl-phosphoryl]oxybutyl-trimethyl-azanium

Systemtic Name: 4-[2,3-bis(3,7,11-trimethyldodecoxy)propoxy-oxidanyl-phosphoryl]oxybutyl-trimethyl-azanium Openeye Name: 4-[2,3-bis(3,7,11-trimethyldodecoxy)propoxy-hydroxy-phosphoryl]oxybutyl-trimethyl-ammonium CAS Name: 4-[2,3-bis(3,7,11-trimethyldodecoxy)propoxy-hydroxyphosphoryl]oxybutyl-trimethylammonium IUPAC Name: 4-[2,3-bis(3,7,11-trimethyldodecoxy)propoxy-hydroxyphosphoryl]oxybutyl-trimethylazanium Traditional Name: 4-[2,3-bis(3,7,11-trimethyldodecoxy)propoxy-hydroxy-phosphoryl]oxybutyl-trimethyl-ammonium Formula: C40H85NO6P+ MolecularWeight: 707.079761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCCCC[N+](C)(C)C)OCCC(C)CCCC(C)CCCC(C)C

Isomeric SMILES

CC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCCCC[N+](C)(C)C)OCCC(C)CCCC(C)CCCC(C)C

InChI

InChI=1S/C40H84NO6P/c1-34(2)18-14-20-36(5)22-16-24-38(7)26-30-44-32-40(33-47-48(42,43)46-29-13-12-28-41(9,10)11)45-31-27-39(8)25-17-23-37(6)21-15-19-35(3)4/h34-40H,12-33H2,1-11H3/p+1