methyl-[3-[oxidanyl-[2-propanoyloxy-3-(3-tridecoxyphenyl)propoxy]phosphanyl]oxypropyl]azanium

Systemtic Name: methyl-[3-[oxidanyl-[2-propanoyloxy-3-(3-tridecoxyphenyl)propoxy]phosphanyl]oxypropyl]azanium Openeye Name: 3-[hydroxy-[2-propanoyloxy-3-(3-tridecoxyphenyl)propoxy]phosphanyl]oxypropyl-methyl-ammonium CAS Name: 3-[hydroxy-[2-(1-oxopropoxy)-3-(3-tridecoxyphenyl)propoxy]phosphino]oxypropyl-methylammonium IUPAC Name: 3-[hydroxy-[2-propanoyloxy-3-(3-tridecoxyphenyl)propoxy]phosphanyl]oxypropyl-methylazanium Traditional Name: 3-[hydroxy-[2-propionyloxy-3-(3-tridecoxyphenyl)propoxy]phosphino]oxypropyl-methyl-ammonium Formula: C29H53NO6P+ MolecularWeight: 542.707981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(COP(O)OCCC[NH2+]C)OC(=O)CC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(COP(O)OCCC[NH2+]C)OC(=O)CC

InChI

InChI=1S/C29H52NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-21-33-27-19-16-18-26(23-27)24-28(36-29(31)5-2)25-35-37(32)34-22-17-20-30-3/h16,18-19,23,28,30,32H,4-15,17,20-22,24-25H2,1-3H3/p+1