6-(hydroxymethyl)-2-[(R)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-3-oxidanyl-pyran-4-one

Systemtic Name: 6-(hydroxymethyl)-2-[(R)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-3-oxidanyl-pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[(R)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[(R)-(2-hydroxyphenyl)-(2-pyridin-1-iumylamino)methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[(R)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]pyran-4-one Traditional Name: 3-hydroxy-2-[(R)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-6-methylol-pyran-4-one Formula: C18H17N2O5+ MolecularWeight: 341.33798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC=CC=[NH+]3)O

Isomeric SMILES

C1=CC=C(C(=C1)[C@H](C2=C(C(=O)C=C(O2)CO)O)NC3=CC=CC=[NH+]3)O

InChI

InChI=1S/C18H16N2O5/c21-10-11-9-14(23)17(24)18(25-11)16(12-5-1-2-6-13(12)22)20-15-7-3-4-8-19-15/h1-9,16,21-22,24H,10H2,(H,19,20)/p+1/t16-/m1/s1