[(2R,3S,4R)-2,3,4-triacetyloxy-4-(5-methyl-1-oxidanidyl-pyrazin-1-ium-2-yl)butyl] ethanoate

Systemtic Name: [(2R,3S,4R)-2,3,4-triacetyloxy-4-(5-methyl-1-oxidanidyl-pyrazin-1-ium-2-yl)butyl] ethanoate Openeye Name: [(2R,3S,4R)-2,3,4-triacetoxy-4-(5-methyl-1-oxido-pyrazin-1-ium-2-yl)butyl] acetate CAS Name: acetic acid [(2R,3S,4R)-2,3,4-triacetyloxy-4-(5-methyl-1-oxido-2-pyrazin-1-iumyl)butyl] ester IUPAC Name: [(2R,3S,4R)-2,3,4-triacetyloxy-4-(5-methyl-1-oxidopyrazin-1-ium-2-yl)butyl] acetate Traditional Name: acetic acid [(2R,3S,4R)-2,3,4-triacetoxy-4-(5-methyl-1-oxido-pyrazin-1-ium-2-yl)butyl] ester Formula: C17H22N2O9 MolecularWeight: 398.36458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C([N+](=C1)[O-])C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=NC=C([N+](=C1)[O-])[C@H]([C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C17H22N2O9/c1-9-7-19(24)14(6-18-9)16(27-12(4)22)17(28-13(5)23)15(26-11(3)21)8-25-10(2)20/h6-7,15-17H,8H2,1-5H3/t15-,16-,17-/m1/s1