6-[3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium-1-yl]-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Systemtic Name: 6-[3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium-1-yl]-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: 3,4,5-trihydroxy-6-[3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium-1-yl]tetrahydropyran-2-carboxylate CAS Name: 3,4,5-trihydroxy-6-[3-[(2S)-1-methyl-2-pyrrolidin-1-iumyl]-1-pyridin-1-iumyl]-2-oxanecarboxylate IUPAC Name: 3,4,5-trihydroxy-6-[3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate Traditional Name: 3,4,5-trihydroxy-6-[3-[(2S)-1-methylpyrrolidin-1-ium-2-yl]pyridin-1-ium-1-yl]tetrahydropyran-2-carboxylate Formula: C16H23N2O6+ MolecularWeight: 339.36362

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1C2=C[N+](=CC=C2)C3C(C(C(C(O3)C(=O)[O-])O)O)O

Isomeric SMILES

C[NH+]1CCC[C@H]1C2=C[N+](=CC=C2)C3C(C(C(C(O3)C(=O)[O-])O)O)O

InChI

InChI=1S/C16H22N2O6/c1-17-6-3-5-10(17)9-4-2-7-18(8-9)15-13(21)11(19)12(20)14(24-15)16(22)23/h2,4,7-8,10-15,19-21H,3,5-6H2,1H3/p+1/t10-,11?,12?,13?,14?,15?/m0/s1