[4-(hexadecan-3-ylsulfanylmethyl)-5-methoxy-1-(trimethylazaniumyl)pentan-2-yl] phosphate

Systemtic Name: [4-(hexadecan-3-ylsulfanylmethyl)-5-methoxy-1-(trimethylazaniumyl)pentan-2-yl] phosphate Openeye Name: [3-(1-ethyltetradecylsulfanylmethyl)-4-methoxy-1-[(trimethylammonio)methyl]butyl] phosphate CAS Name: [4-[(hexadecan-3-ylthio)methyl]-5-methoxy-1-(trimethylammonio)pentan-2-yl] phosphate IUPAC Name: [4-(hexadecan-3-ylsulfanylmethyl)-5-methoxy-1-(trimethylazaniumyl)pentan-2-yl] phosphate Traditional Name: [3-[(1-ethyltetradecylthio)methyl]-4-methoxy-1-[(trimethylammonio)methyl]butyl] phosphate Formula: C26H55NO5PS- MolecularWeight: 524.757361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC)SCC(CC(C[N+](C)(C)C)OP(=O)([O-])[O-])COC

Isomeric SMILES

CCCCCCCCCCCCCC(CC)SCC(CC(C[N+](C)(C)C)OP(=O)([O-])[O-])COC

InChI

InChI=1S/C26H56NO5PS/c1-7-9-10-11-12-13-14-15-16-17-18-19-26(8-2)34-23-24(22-31-6)20-25(21-27(3,4)5)32-33(28,29)30/h24-26H,7-23H2,1-6H3,(H-,28,29,30)/p-1