[2-[5-(3-butoxyphenoxy)pentoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [2-[5-(3-butoxyphenoxy)pentoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [2-[5-(3-butoxyphenoxy)pentoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [2-[5-(3-butoxyphenoxy)pentoxy-hydroxyphosphoryl]oxy-4-hydroxy-4-oxobutyl]-trimethylammonium IUPAC Name: [2-[5-(3-butoxyphenoxy)pentoxy-hydroxyphosphoryl]oxy-4-hydroxy-4-oxobutyl]-trimethylazanium Traditional Name: [2-[5-(3-butoxyphenoxy)pentoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C22H39NO8P+ MolecularWeight: 476.520721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC=C1)OCCCCCOP(=O)(O)OC(CC(=O)O)C[N+](C)(C)C

Isomeric SMILES

CCCCOC1=CC(=CC=C1)OCCCCCOP(=O)(O)OC(CC(=O)O)C[N+](C)(C)C

InChI

InChI=1S/C22H38NO8P/c1-5-6-13-28-19-11-10-12-20(16-19)29-14-8-7-9-15-30-32(26,27)31-21(17-22(24)25)18-23(2,3)4/h10-12,16,21H,5-9,13-15,17-18H2,1-4H3,(H-,24,25,26,27)/p+1