[(2R,3S,4R)-2,3,4-triacetyloxy-4-(6-methyl-4-oxidanidyl-pyrazin-4-ium-2-yl)butyl] ethanoate

Systemtic Name: [(2R,3S,4R)-2,3,4-triacetyloxy-4-(6-methyl-4-oxidanidyl-pyrazin-4-ium-2-yl)butyl] ethanoate Openeye Name: [(2R,3S,4R)-2,3,4-triacetoxy-4-(6-methyl-4-oxido-pyrazin-4-ium-2-yl)butyl] acetate CAS Name: acetic acid [(2R,3S,4R)-2,3,4-triacetyloxy-4-(6-methyl-4-oxido-2-pyrazin-4-iumyl)butyl] ester IUPAC Name: [(2R,3S,4R)-2,3,4-triacetyloxy-4-(6-methyl-4-oxidopyrazin-4-ium-2-yl)butyl] acetate Traditional Name: acetic acid [(2R,3S,4R)-2,3,4-triacetoxy-4-(6-methyl-4-oxido-pyrazin-4-ium-2-yl)butyl] ester Formula: C17H22N2O9 MolecularWeight: 398.36458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC(=N1)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[O-]

Isomeric SMILES

CC1=C[N+](=CC(=N1)[C@H]([C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)[O-]

InChI

InChI=1S/C17H22N2O9/c1-9-6-19(24)7-14(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