trimethyl-[2-[8-(4-methylphenoxy)octoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]azanium

Systemtic Name: trimethyl-[2-[8-(4-methylphenoxy)octoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]azanium Openeye Name: [4-hydroxy-2-[hydroxy-[8-(4-methylphenoxy)octoxy]phosphoryl]oxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-2-[hydroxy-[8-(4-methylphenoxy)octoxy]phosphoryl]oxy-4-oxobutyl]-trimethylammonium IUPAC Name: [4-hydroxy-2-[hydroxy-[8-(4-methylphenoxy)octoxy]phosphoryl]oxy-4-oxobutyl]-trimethylazanium Traditional Name: [4-hydroxy-2-[hydroxy-[8-(4-methylphenoxy)octoxy]phosphoryl]oxy-4-keto-butyl]-trimethyl-ammonium Formula: C22H39NO7P+ MolecularWeight: 460.521321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCCCCCCOP(=O)(O)OC(CC(=O)O)C[N+](C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCCCCCCOP(=O)(O)OC(CC(=O)O)C[N+](C)(C)C

InChI

InChI=1S/C22H38NO7P/c1-19-11-13-20(14-12-19)28-15-9-7-5-6-8-10-16-29-31(26,27)30-21(17-22(24)25)18-23(2,3)4/h11-14,21H,5-10,15-18H2,1-4H3,(H-,24,25,26,27)/p+1