trimethyl-[4-oxidanyl-4-oxidanylidene-2-[oxidanyl(7-phenoxyheptoxy)phosphoryl]oxy-butyl]azanium hydroxide

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-[oxidanyl(7-phenoxyheptoxy)phosphoryl]oxy-butyl]azanium hydroxide Openeye Name: [4-hydroxy-2-[hydroxy(7-phenoxyheptoxy)phosphoryl]oxy-4-oxo-butyl]-trimethyl-ammonium hydroxide CAS Name: [4-hydroxy-2-[hydroxy(7-phenoxyheptoxy)phosphoryl]oxy-4-oxobutyl]-trimethylammonium hydroxide IUPAC Name: [4-hydroxy-2-[hydroxy(7-phenoxyheptoxy)phosphoryl]oxy-4-oxobutyl]-trimethylazanium hydroxide Traditional Name: [4-hydroxy-2-[hydroxy(7-phenoxyheptoxy)phosphoryl]oxy-4-keto-butyl]-trimethyl-ammonium hydroxide Formula: C20H36NO8P MolecularWeight: 449.475501

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)OP(=O)(O)OCCCCCCCOC1=CC=CC=C1.[OH-]

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)O)OP(=O)(O)OCCCCCCCOC1=CC=CC=C1.[OH-]

InChI

InChI=1S/C20H34NO7P.H2O/c1-21(2,3)17-19(16-20(22)23)28-29(24,25)27-15-11-6-4-5-10-14-26-18-12-8-7-9-13-18;/h7-9,12-13,19H,4-6,10-11,14-17H2,1-3H3,(H-,22,23,24,25);1H2