2-(hydroxymethyl)-3-[(R)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-5-oxidanyl-pyran-4-one

Systemtic Name: 2-(hydroxymethyl)-3-[(R)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-5-oxidanyl-pyran-4-one Openeye Name: 5-hydroxy-2-(hydroxymethyl)-3-[(R)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]pyran-4-one CAS Name: 5-hydroxy-2-(hydroxymethyl)-3-[(R)-(2-hydroxyphenyl)-(2-pyridin-1-iumylamino)methyl]-4-pyranone IUPAC Name: 5-hydroxy-2-(hydroxymethyl)-3-[(R)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]pyran-4-one Traditional Name: 5-hydroxy-3-[(R)-(2-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-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(OC=C(C2=O)O)CO)NC3=CC=CC=[NH+]3)O

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5/c21-9-14-16(18(24)13(23)10-25-14)17(11-5-1-2-6-12(11)22)20-15-7-3-4-8-19-15/h1-8,10,17,21-23H,9H2,(H,19,20)/p+1/t17-/m1/s1