2-[[2-acetyloxy-3-[(4-decoxyphenyl)methoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-acetyloxy-3-[(4-decoxyphenyl)methoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-acetoxy-3-[(4-decoxyphenyl)methoxy]propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-acetyloxy-3-[(4-decoxyphenyl)methoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-acetyloxy-3-[(4-decoxyphenyl)methoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-acetoxy-3-(4-decoxybenzyl)oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C27H49NO8P+ MolecularWeight: 546.653621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)COCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)COCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C

InChI

InChI=1S/C27H48NO8P/c1-6-7-8-9-10-11-12-13-19-33-26-16-14-25(15-17-26)21-32-22-27(36-24(2)29)23-35-37(30,31)34-20-18-28(3,4)5/h14-17,27H,6-13,18-23H2,1-5H3/p+1