trimethyl-[4-oxidanyl-4-oxidanylidene-2-[oxidanyl-[1-(3-pentoxyphenyl)pentoxy]phosphoryl]oxy-butyl]azanium

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-[oxidanyl-[1-(3-pentoxyphenyl)pentoxy]phosphoryl]oxy-butyl]azanium Openeye Name: [4-hydroxy-2-[hydroxy-[1-(3-pentoxyphenyl)pentoxy]phosphoryl]oxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-2-[hydroxy-[1-(3-pentoxyphenyl)pentoxy]phosphoryl]oxy-4-oxobutyl]-trimethylammonium IUPAC Name: [4-hydroxy-2-[hydroxy-[1-(3-pentoxyphenyl)pentoxy]phosphoryl]oxy-4-oxobutyl]-trimethylazanium Traditional Name: [2-[1-(3-amoxyphenyl)pentoxy-hydroxy-phosphoryl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C23H41NO7P+ MolecularWeight: 474.547901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40NO7P/c1-6-8-10-15-29-20-13-11-12-19(16-20)22(14-9-7-2)31-32(27,28)30-21(17-23(25)26)18-24(3,4)5/h11-13,16,21-22H,6-10,14-15,17-18H2,1-5H3,(H-,25,26,27,28)/p+1