2-(1-ethyl-2-methyl-3-phenyl-benzimidazol-1-ium-5-yl)quinoline iodide

Systemtic Name: 2-(1-ethyl-2-methyl-3-phenyl-benzimidazol-1-ium-5-yl)quinoline iodide Openeye Name: 2-(1-ethyl-2-methyl-3-phenyl-benzimidazol-1-ium-5-yl)quinoline iodide CAS Name: 2-(1-ethyl-2-methyl-3-phenyl-5-benzimidazol-1-iumyl)quinoline iodide IUPAC Name: 2-(1-ethyl-2-methyl-3-phenylbenzimidazol-1-ium-5-yl)quinoline iodide Traditional Name: 2-(1-ethyl-2-methyl-3-phenyl-benzimidazol-1-ium-5-yl)quinoline iodide Formula: C25H22IN3 MolecularWeight: 491.36675

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C3=NC4=CC=CC=C4C=C3)C5=CC=CC=C5)C.[I-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C3=NC4=CC=CC=C4C=C3)C5=CC=CC=C5)C.[I-]

InChI

InChI=1S/C25H22N3.HI/c1-3-27-18(2)28(21-10-5-4-6-11-21)25-17-20(14-16-24(25)27)23-15-13-19-9-7-8-12-22(19)26-23;/h4-17H,3H2,1-2H3;1H/q+1;/p-1