[4-(3-aminocarbonylpyridin-1-ium-1-yl)-2,3-bis(oxidanyl)cyclopentyl]methyl hydrogen phosphate

Systemtic Name: [4-(3-aminocarbonylpyridin-1-ium-1-yl)-2,3-bis(oxidanyl)cyclopentyl]methyl hydrogen phosphate Openeye Name: [4-(3-carbamoylpyridin-1-ium-1-yl)-2,3-dihydroxy-cyclopentyl]methyl hydrogen phosphate CAS Name: [4-(3-carbamoyl-1-pyridin-1-iumyl)-2,3-dihydroxycyclopentyl]methyl hydrogen phosphate IUPAC Name: [4-(3-carbamoylpyridin-1-ium-1-yl)-2,3-dihydroxycyclopentyl]methyl hydrogen phosphate Traditional Name: [4-(3-carbamoylpyridin-1-ium-1-yl)-2,3-dihydroxy-cyclopentyl]methyl hydrogen phosphate Formula: C12H17N2O7P MolecularWeight: 332.246341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1[N+]2=CC=CC(=C2)C(=O)N)O)O)COP(=O)(O)[O-]

Isomeric SMILES

C1C(C(C(C1[N+]2=CC=CC(=C2)C(=O)N)O)O)COP(=O)(O)[O-]

InChI

InChI=1S/C12H17N2O7P/c13-12(17)7-2-1-3-14(5-7)9-4-8(10(15)11(9)16)6-21-22(18,19)20/h1-3,5,8-11,15-16H,4,6H2,(H3-,13,17,18,19,20)