[6-[(5-azanyl-2-oxidanyl-phenyl)carbonyloxymethyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-tributyl-azanium

Systemtic Name: [6-[(5-azanyl-2-oxidanyl-phenyl)carbonyloxymethyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-tributyl-azanium Openeye Name: [6-[(5-amino-2-hydroxy-benzoyl)oxymethyl]-2,4,5-trihydroxy-tetrahydropyran-3-yl]-tributyl-ammonium CAS Name: [6-[[(5-amino-2-hydroxyphenyl)-oxomethoxy]methyl]-2,4,5-trihydroxy-3-oxanyl]-tributylammonium IUPAC Name: [6-[(5-amino-2-hydroxybenzoyl)oxymethyl]-2,4,5-trihydroxyoxan-3-yl]-tributylazanium Traditional Name: [6-[(5-amino-2-hydroxy-benzoyl)oxymethyl]-2,4,5-trihydroxy-tetrahydropyran-3-yl]-tributyl-ammonium Formula: C25H43N2O7+ MolecularWeight: 483.61812

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)C1C(C(C(OC1O)COC(=O)C2=C(C=CC(=C2)N)O)O)O

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)C1C(C(C(OC1O)COC(=O)C2=C(C=CC(=C2)N)O)O)O

InChI

InChI=1S/C25H42N2O7/c1-4-7-12-27(13-8-5-2,14-9-6-3)21-23(30)22(29)20(34-25(21)32)16-33-24(31)18-15-17(26)10-11-19(18)28/h10-11,15,20-23,25,29-30,32H,4-9,12-14,16,26H2,1-3H3/p+1