trimethyl-[4-oxidanyl-4-oxidanylidene-2-[4-(3-pentoxyphenoxy)butoxy-sulfanyl-phosphinothioyl]oxy-butyl]azanium

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-[4-(3-pentoxyphenoxy)butoxy-sulfanyl-phosphinothioyl]oxy-butyl]azanium Openeye Name: [4-hydroxy-4-oxo-2-[4-(3-pentoxyphenoxy)butoxy-sulfanyl-phosphinothioyl]oxy-butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-2-[mercapto-[4-(3-pentoxyphenoxy)butoxy]phosphinothioyl]oxy-4-oxobutyl]-trimethylammonium IUPAC Name: [4-hydroxy-4-oxo-2-[4-(3-pentoxyphenoxy)butoxy-sulfanylphosphinothioyl]oxybutyl]-trimethylazanium Traditional Name: [2-[4-(3-amoxyphenoxy)butoxy-mercapto-thiophosphoryl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C22H39NO6PS2+ MolecularWeight: 508.651921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38NO6PS2/c1-5-6-7-13-26-19-11-10-12-20(16-19)27-14-8-9-15-28-30(31,32)29-21(17-22(24)25)18-23(2,3)4/h10-12,16,21H,5-9,13-15,17-18H2,1-4H3,(H-,24,25,31,32)/p+1