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

Systemtic Name: 2-[(4-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-6-(hydroxymethyl)-3-oxidanyl-pyran-4-one Openeye Name: 2-[(4-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one CAS Name: 2-[(4-fluorophenyl)-(2-pyridin-1-iumylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-pyranone IUPAC Name: 2-[(4-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one Traditional Name: 2-[(4-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-3-hydroxy-6-methylol-pyran-4-one Formula: C18H16FN2O4+ MolecularWeight: 343.329043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NC(C2=CC=C(C=C2)F)C3=C(C(=O)C=C(O3)CO)O

Isomeric SMILES

C1=CC=[NH+]C(=C1)NC(C2=CC=C(C=C2)F)C3=C(C(=O)C=C(O3)CO)O

InChI

InChI=1S/C18H15FN2O4/c19-12-6-4-11(5-7-12)16(21-15-3-1-2-8-20-15)18-17(24)14(23)9-13(10-22)25-18/h1-9,16,22,24H,10H2,(H,20,21)/p+1