trimethyl-[4-oxidanyl-4-oxidanylidene-2-[oxidanyl-[3-(3-pentoxyphenoxy)propoxy]phosphoryl]oxy-butyl]azanium

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-[oxidanyl-[3-(3-pentoxyphenoxy)propoxy]phosphoryl]oxy-butyl]azanium Openeye Name: [4-hydroxy-2-[hydroxy-[3-(3-pentoxyphenoxy)propoxy]phosphoryl]oxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-2-[hydroxy-[3-(3-pentoxyphenoxy)propoxy]phosphoryl]oxy-4-oxobutyl]-trimethylammonium IUPAC Name: [4-hydroxy-2-[hydroxy-[3-(3-pentoxyphenoxy)propoxy]phosphoryl]oxy-4-oxobutyl]-trimethylazanium Traditional Name: [2-[3-(3-amoxyphenoxy)propoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C21H37NO8P+ MolecularWeight: 462.494141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36NO8P/c1-5-6-7-12-27-18-10-8-11-19(15-18)28-13-9-14-29-31(25,26)30-20(16-21(23)24)17-22(2,3)4/h8,10-11,15,20H,5-7,9,12-14,16-17H2,1-4H3,(H-,23,24,25,26)/p+1