[3-[(2-acetyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]oxyphenyl]methyl-trimethyl-azanium

Systemtic Name: [3-[(2-acetyloxy-3-hexadecoxy-propoxy)-oxidanyl-phosphoryl]oxyphenyl]methyl-trimethyl-azanium Openeye Name: [3-[(2-acetoxy-3-hexadecoxy-propoxy)-hydroxy-phosphoryl]oxyphenyl]methyl-trimethyl-ammonium CAS Name: [3-[(2-acetyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxyphenyl]methyl-trimethylammonium IUPAC Name: [3-[(2-acetyloxy-3-hexadecoxypropoxy)-hydroxyphosphoryl]oxyphenyl]methyl-trimethylazanium Traditional Name: [3-[(2-acetoxy-3-cetyloxy-propoxy)-hydroxy-phosphoryl]oxybenzyl]-trimethyl-ammonium Formula: C31H57NO7P+ MolecularWeight: 586.760541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)C[N+](C)(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)C[N+](C)(C)C)OC(=O)C

InChI

InChI=1S/C31H56NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-36-26-31(38-28(2)33)27-37-40(34,35)39-30-22-20-21-29(24-30)25-32(3,4)5/h20-22,24,31H,6-19,23,25-27H2,1-5H3/p+1