4-[4-oxidanylidene-5-[1,2,3,4-tetrakis(oxidanyl)butyl]-1H-1,7-naphthyridin-1-ium-1-yl]butanoic acid

Systemtic Name: 4-[4-oxidanylidene-5-[1,2,3,4-tetrakis(oxidanyl)butyl]-1H-1,7-naphthyridin-1-ium-1-yl]butanoic acid Openeye Name: 4-[4-oxo-5-(1,2,3,4-tetrahydroxybutyl)-1H-1,7-naphthyridin-1-ium-1-yl]butanoic acid CAS Name: 4-[4-oxo-5-(1,2,3,4-tetrahydroxybutyl)-1H-1,7-naphthyridin-1-ium-1-yl]butanoic acid IUPAC Name: 4-[4-oxo-5-(1,2,3,4-tetrahydroxybutyl)-1H-1,7-naphthyridin-1-ium-1-yl]butanoic acid Traditional Name: 4-[4-keto-5-(1,2,3,4-tetrahydroxybutyl)-1H-1,7-naphthyridin-1-ium-1-yl]butyric acid Formula: C16H21N2O7+ MolecularWeight: 353.34714

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+](C2=C(C1=O)C(=CN=C2)C(C(C(CO)O)O)O)CCCC(=O)O

Isomeric SMILES

C1=C[NH+](C2=C(C1=O)C(=CN=C2)C(C(C(CO)O)O)O)CCCC(=O)O

InChI

InChI=1S/C16H20N2O7/c19-8-12(21)16(25)15(24)9-6-17-7-10-14(9)11(20)3-5-18(10)4-1-2-13(22)23/h3,5-7,12,15-16,19,21,24-25H,1-2,4,8H2,(H,22,23)/p+1