[3,4,6-tris(oxidanyl)-5-pyridin-1-ium-1-yl-oxan-2-yl]methyl 5-azanyl-2-oxidanyl-benzoate

Systemtic Name: [3,4,6-tris(oxidanyl)-5-pyridin-1-ium-1-yl-oxan-2-yl]methyl 5-azanyl-2-oxidanyl-benzoate Openeye Name: (3,4,6-trihydroxy-5-pyridin-1-ium-1-yl-tetrahydropyran-2-yl)methyl 5-amino-2-hydroxy-benzoate CAS Name: 5-amino-2-hydroxybenzoic acid [3,4,6-trihydroxy-5-(1-pyridin-1-iumyl)-2-oxanyl]methyl ester IUPAC Name: (3,4,6-trihydroxy-5-pyridin-1-ium-1-yloxan-2-yl)methyl 5-amino-2-hydroxybenzoate Traditional Name: 5-amino-2-hydroxy-benzoic acid (3,4,6-trihydroxy-5-pyridin-1-ium-1-yl-tetrahydropyran-2-yl)methyl ester Formula: C18H21N2O7+ MolecularWeight: 377.36854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2C(C(C(OC2O)COC(=O)C3=C(C=CC(=C3)N)O)O)O

Isomeric SMILES

C1=CC=[N+](C=C1)C2C(C(C(OC2O)COC(=O)C3=C(C=CC(=C3)N)O)O)O

InChI

InChI=1S/C18H20N2O7/c19-10-4-5-12(21)11(8-10)17(24)26-9-13-15(22)16(23)14(18(25)27-13)20-6-2-1-3-7-20/h1-8,13-16,18,22-23,25H,9,19H2/p+1