2-[(R)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one

Systemtic Name: 2-[(R)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one Openeye Name: 2-[(R)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one CAS Name: 2-[(R)-1,3-benzodioxol-5-yl-(2-pyridin-1-iumylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone IUPAC Name: 2-[(R)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one Traditional Name: 2-[(R)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-3-hydroxy-6-methylol-pyran-4-one Formula: C19H17N2O6+ MolecularWeight: 369.34808

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=C(C(=O)C=C(O3)CO)O)NC4=CC=CC=[NH+]4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@H](C3=C(C(=O)C=C(O3)CO)O)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C19H16N2O6/c22-9-12-8-13(23)18(24)19(27-12)17(21-16-3-1-2-6-20-16)11-4-5-14-15(7-11)26-10-25-14/h1-8,17,22,24H,9-10H2,(H,20,21)/p+1/t17-/m1/s1