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

Systemtic Name: 6-(hydroxymethyl)-2-[(R)-(3-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]-3-oxidanyl-pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[(R)-(3-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[(R)-(3-nitrophenyl)-(2-pyridin-1-iumylamino)methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[(R)-(3-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-[(R)-(3-nitrophenyl)-(pyridin-1-ium-2-ylamino)methyl]pyran-4-one Formula: C18H16N3O6+ MolecularWeight: 370.33614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=[NH+]C(=C1)N[C@H](C2=CC(=CC=C2)[N+](=O)[O-])C3=C(C(=O)C=C(O3)CO)O

InChI

InChI=1S/C18H15N3O6/c22-10-13-9-14(23)17(24)18(27-13)16(20-15-6-1-2-7-19-15)11-4-3-5-12(8-11)21(25)26/h1-9,16,22,24H,10H2,(H,19,20)/p+1/t16-/m1/s1