4-[(2-acetyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]butyl-methyl-azanium

Systemtic Name: 4-[(2-acetyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]butyl-methyl-azanium Openeye Name: 4-[(2-acetoxy-3-hexadecoxy-propoxy)-hydroxy-phosphoryl]butyl-methyl-ammonium CAS Name: 4-[(2-acetyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]butyl-methylammonium IUPAC Name: 4-[(2-acetyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]butyl-methylazanium Traditional Name: 4-[(2-acetoxy-3-cetyloxy-propoxy)-hydroxy-phosphoryl]butyl-methyl-ammonium Formula: C26H55NO6P+ MolecularWeight: 508.691761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(CCCC[NH2+]C)O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(CCCC[NH2+]C)O)OC(=O)C

InChI

InChI=1S/C26H54NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-31-23-26(33-25(2)28)24-32-34(29,30)22-19-17-20-27-3/h26-27H,4-24H2,1-3H3,(H,29,30)/p+1