[4-(hexadecan-3-ylsulfanylmethyl)-5-methoxy-2-phosphonooxy-pentyl]-trimethyl-azanium

Systemtic Name: [4-(hexadecan-3-ylsulfanylmethyl)-5-methoxy-2-phosphonooxy-pentyl]-trimethyl-azanium Openeye Name: [4-(1-ethyltetradecylsulfanylmethyl)-5-methoxy-2-phosphonooxy-pentyl]-trimethyl-ammonium CAS Name: [4-[(hexadecan-3-ylthio)methyl]-5-methoxy-2-phosphonooxypentyl]-trimethylammonium IUPAC Name: [4-(hexadecan-3-ylsulfanylmethyl)-5-methoxy-2-phosphonooxypentyl]-trimethylazanium Traditional Name: [4-[(1-ethyltetradecylthio)methyl]-5-methoxy-2-phosphonooxy-pentyl]-trimethyl-ammonium Formula: C26H57NO5PS+ MolecularWeight: 526.773241

Click to see the large picture

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