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

Systemtic Name: 4-[(2-acetyloxy-3-heptadecoxy-propoxy)-oxidanyl-phosphoryl]butyl-methyl-azanium Openeye Name: 4-[(2-acetoxy-3-heptadecoxy-propoxy)-hydroxy-phosphoryl]butyl-methyl-ammonium CAS Name: 4-[(2-acetyloxy-3-heptadecoxypropoxy)-hydroxyphosphoryl]butyl-methylammonium IUPAC Name: 4-[(2-acetyloxy-3-heptadecoxypropoxy)-hydroxyphosphoryl]butyl-methylazanium Traditional Name: 4-[(2-acetoxy-3-heptadecoxy-propoxy)-hydroxy-phosphoryl]butyl-methyl-ammonium Formula: C27H57NO6P+ MolecularWeight: 522.718341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H56NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-32-24-27(34-26(2)29)25-33-35(30,31)23-20-18-21-28-3/h27-28H,4-25H2,1-3H3,(H,30,31)/p+1