[2-acetyloxy-3-[(4-decoxyphenyl)methoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-acetyloxy-3-[(4-decoxyphenyl)methoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-acetoxy-3-[(4-decoxyphenyl)methoxy]propyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-acetyloxy-3-[(4-decoxyphenyl)methoxy]propyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-acetyloxy-3-[(4-decoxyphenyl)methoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-acetoxy-3-(4-decoxybenzyl)oxy-propyl] 2-(trimethylammonio)ethyl phosphate Formula: C27H48NO8P MolecularWeight: 545.645681

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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