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

Systemtic Name: 4-(1H-benzimidazol-2-yl)-1-ethyl-quinolin-1-ium iodide hydrate Openeye Name: 4-(1H-benzimidazol-2-yl)-1-ethyl-quinolin-1-ium iodide hydrate CAS Name: 4-(1H-benzimidazol-2-yl)-1-ethylquinolin-1-ium iodide hydrate IUPAC Name: 4-(1H-benzimidazol-2-yl)-1-ethylquinolin-1-ium iodide hydrate Traditional Name: 4-(1H-benzimidazol-2-yl)-1-ethyl-quinolin-1-ium iodide hydrate Formula: C18H18IN3O MolecularWeight: 419.25949

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C2=CC=CC=C21)C3=NC4=CC=CC=C4N3.O.[I-]

Isomeric SMILES

CC[N+]1=CC=C(C2=CC=CC=C21)C3=NC4=CC=CC=C4N3.O.[I-]

InChI

InChI=1S/C18H15N3.HI.H2O/c1-2-21-12-11-14(13-7-3-6-10-17(13)21)18-19-15-8-4-5-9-16(15)20-18;;/h3-12H,2H2,1H3;1H;1H2