2-[(3-acetyloxy-4-hexadecoxy-butan-2-yl)oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(3-acetyloxy-4-hexadecoxy-butan-2-yl)oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[(2-acetoxy-3-hexadecoxy-1-methyl-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[(3-acetyloxy-4-hexadecoxybutan-2-yl)oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[(3-acetyloxy-4-hexadecoxybutan-2-yl)oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[(2-acetoxy-3-cetyloxy-1-methyl-propoxy)-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C27H57NO7P+ MolecularWeight: 538.717741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C(C)OP(=O)(O)OCC[N+](C)(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(C(C)OP(=O)(O)OCC[N+](C)(C)C)OC(=O)C

InChI

InChI=1S/C27H56NO7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-32-24-27(34-26(3)29)25(2)35-36(30,31)33-23-21-28(4,5)6/h25,27H,7-24H2,1-6H3/p+1