N-(1H-benzimidazol-1-ium-2-ylmethyl)-8-oxidanyl-1,6-naphthyridine-7-carboxamide; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: N-(1H-benzimidazol-1-ium-2-ylmethyl)-8-oxidanyl-1,6-naphthyridine-7-carboxamide; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: N-(1H-benzimidazol-1-ium-2-ylmethyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide; 2,2,2-trifluoroacetate CAS Name: N-(1H-benzimidazol-1-ium-2-ylmethyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide; 2,2,2-trifluoroacetate IUPAC Name: N-(1H-benzimidazol-1-ium-2-ylmethyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide; 2,2,2-trifluoroacetate Traditional Name: N-(1H-benzimidazol-1-ium-2-ylmethyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide; 2,2,2-trifluoroacetate Formula: C19H14F3N5O4 MolecularWeight: 433.34077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[NH2+]C(=N2)CNC(=O)C3=NC=C4C=CC=NC4=C3O.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[NH2+]C(=N2)CNC(=O)C3=NC=C4C=CC=NC4=C3O.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C17H13N5O2.C2HF3O2/c23-16-14-10(4-3-7-18-14)8-19-15(16)17(24)20-9-13-21-11-5-1-2-6-12(11)22-13;3-2(4,5)1(6)7/h1-8,23H,9H2,(H,20,24)(H,21,22);(H,6,7)