2-(3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-yl)-5-phenyl-1,3-oxazole chloride

Systemtic Name: 2-(3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-yl)-5-phenyl-1,3-oxazole chloride Openeye Name: 2-(3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-yl)-5-phenyl-oxazole chloride CAS Name: 2-(3-ethyl-2-methyl-1-phenyl-5-benzimidazol-3-iumyl)-5-phenyloxazole chloride IUPAC Name: 2-(3-ethyl-2-methyl-1-phenylbenzimidazol-3-ium-5-yl)-5-phenyl-1,3-oxazole chloride Traditional Name: 2-(3-ethyl-2-methyl-1-phenyl-benzimidazol-3-ium-5-yl)-5-phenyl-oxazole chloride Formula: C25H22ClN3O MolecularWeight: 415.91468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=C(C=C2)C3=NC=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C.[Cl-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=C(C=C2)C3=NC=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)C.[Cl-]

InChI

InChI=1S/C25H22N3O.ClH/c1-3-27-18(2)28(21-12-8-5-9-13-21)22-15-14-20(16-23(22)27)25-26-17-24(29-25)19-10-6-4-7-11-19;/h4-17H,3H2,1-2H3;1H/q+1;/p-1