2-[[4-(9-cyanooctadecanoylamino)-2-ethanoyl-phenoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[4-(9-cyanooctadecanoylamino)-2-ethanoyl-phenoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-acetyl-4-(9-cyanooctadecanoylamino)phenoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-acetyl-4-[(9-cyano-1-oxooctadecyl)amino]phenoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-acetyl-4-(9-cyanooctadecanoylamino)phenoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-acetyl-4-(9-cyanooctadecanoylamino)phenoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C32H55N3O6P+ MolecularWeight: 608.769361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)NC1=CC(=C(C=C1)OP(=O)(O)OCC[N+](C)(C)C)C(=O)C)C#N

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)NC1=CC(=C(C=C1)OP(=O)(O)OCC[N+](C)(C)C)C(=O)C)C#N

InChI

InChI=1S/C32H54N3O6P/c1-6-7-8-9-10-12-15-18-28(26-33)19-16-13-11-14-17-20-32(37)34-29-21-22-31(30(25-29)27(2)36)41-42(38,39)40-24-23-35(3,4)5/h21-22,25,28H,6-20,23-24H2,1-5H3,(H-,34,37,38,39)/p+1