4-(1H-benzimidazol-2-yl)quinolin-1-ium iodide hydrate

Systemtic Name: 4-(1H-benzimidazol-2-yl)quinolin-1-ium iodide hydrate Openeye Name: 4-(1H-benzimidazol-2-yl)quinolin-1-ium iodide hydrate CAS Name: 4-(1H-benzimidazol-2-yl)quinolin-1-ium iodide hydrate IUPAC Name: 4-(1H-benzimidazol-2-yl)quinolin-1-ium iodide hydrate Traditional Name: 4-(1H-benzimidazol-2-yl)quinolin-1-ium iodide hydrate Formula: C16H14IN3O MolecularWeight: 391.20633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=[NH+]2)C3=NC4=CC=CC=C4N3.O.[I-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=[NH+]2)C3=NC4=CC=CC=C4N3.O.[I-]

InChI

InChI=1S/C16H11N3.HI.H2O/c1-2-6-13-11(5-1)12(9-10-17-13)16-18-14-7-3-4-8-15(14)19-16;;/h1-10H,(H,18,19);1H;1H2