[(2S,3R,4R,5S,6R)-6-[(5-azanyl-2-oxidanyl-phenyl)carbonyloxymethyl]-2,5-bis(oxidanyl)-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-oxan-3-yl]-trimethyl-azanium

Systemtic Name: [(2S,3R,4R,5S,6R)-6-[(5-azanyl-2-oxidanyl-phenyl)carbonyloxymethyl]-2,5-bis(oxidanyl)-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-oxan-3-yl]-trimethyl-azanium Openeye Name: [(2S,3R,4R,5S,6R)-6-[(5-amino-2-hydroxy-benzoyl)oxymethyl]-2,5-dihydroxy-4-(2-hydroxy-1-methyl-2-oxo-ethoxy)tetrahydropyran-3-yl]-trimethyl-ammonium CAS Name: [(2S,3R,4R,5S,6R)-6-[[(5-amino-2-hydroxyphenyl)-oxomethoxy]methyl]-2,5-dihydroxy-4-(1-hydroxy-1-oxopropan-2-yl)oxy-3-oxanyl]-trimethylammonium IUPAC Name: [(2S,3R,4R,5S,6R)-6-[(5-amino-2-hydroxybenzoyl)oxymethyl]-2,5-dihydroxy-4-(1-hydroxy-1-oxopropan-2-yl)oxyoxan-3-yl]-trimethylazanium Traditional Name: [(2S,3R,4R,5S,6R)-6-[(5-amino-2-hydroxy-benzoyl)oxymethyl]-2,5-dihydroxy-4-(2-hydroxy-2-keto-1-methyl-ethoxy)tetrahydropyran-3-yl]-trimethyl-ammonium Formula: C19H29N2O9+ MolecularWeight: 429.44156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1C(C(OC(C1O)COC(=O)C2=C(C=CC(=C2)N)O)O)[N+](C)(C)C

Isomeric SMILES

CC(C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)COC(=O)C2=C(C=CC(=C2)N)O)O)[N+](C)(C)C

InChI

InChI=1S/C19H28N2O9/c1-9(17(24)25)29-16-14(21(2,3)4)19(27)30-13(15(16)23)8-28-18(26)11-7-10(20)5-6-12(11)22/h5-7,9,13-16,19,23,27H,8,20H2,1-4H3,(H-,22,24,25,26)/p+1/t9?,13-,14-,15-,16-,19+/m1/s1