trimethyl-[2-[4-(2-methyl-3-pentoxy-phenoxy)butoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]azanium

Systemtic Name: trimethyl-[2-[4-(2-methyl-3-pentoxy-phenoxy)butoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]azanium Openeye Name: [4-hydroxy-2-[hydroxy-[4-(2-methyl-3-pentoxy-phenoxy)butoxy]phosphoryl]oxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-2-[hydroxy-[4-(2-methyl-3-pentoxyphenoxy)butoxy]phosphoryl]oxy-4-oxobutyl]-trimethylammonium IUPAC Name: [4-hydroxy-2-[hydroxy-[4-(2-methyl-3-pentoxyphenoxy)butoxy]phosphoryl]oxy-4-oxobutyl]-trimethylazanium Traditional Name: [2-[4-(3-amoxy-2-methyl-phenoxy)butoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C23H41NO8P+ MolecularWeight: 490.547301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=CC=C1)OCCCCOP(=O)(O)OC(CC(=O)O)C[N+](C)(C)C)C

Isomeric SMILES

CCCCCOC1=C(C(=CC=C1)OCCCCOP(=O)(O)OC(CC(=O)O)C[N+](C)(C)C)C

InChI

InChI=1S/C23H40NO8P/c1-6-7-8-14-29-21-12-11-13-22(19(21)2)30-15-9-10-16-31-33(27,28)32-20(17-23(25)26)18-24(3,4)5/h11-13,20H,6-10,14-18H2,1-5H3,(H-,25,26,27,28)/p+1