N-[(E)-2-(5-chloranyl-1,3-diethyl-benzimidazol-1-ium-2-yl)ethenyl]-N-phenyl-ethanamide iodide

Systemtic Name: N-[(E)-2-(5-chloranyl-1,3-diethyl-benzimidazol-1-ium-2-yl)ethenyl]-N-phenyl-ethanamide iodide Openeye Name: N-[(E)-2-(5-chloro-1,3-diethyl-benzimidazol-1-ium-2-yl)vinyl]-N-phenyl-acetamide iodide CAS Name: N-[(E)-2-(5-chloro-1,3-diethyl-2-benzimidazol-1-iumyl)ethenyl]-N-phenylacetamide iodide IUPAC Name: N-[(E)-2-(5-chloro-1,3-diethylbenzimidazol-1-ium-2-yl)ethenyl]-N-phenylacetamide iodide Traditional Name: N-[(E)-2-(5-chloro-1,3-diethyl-benzimidazol-1-ium-2-yl)vinyl]-N-phenyl-acetamide iodide Formula: C21H23ClIN3O MolecularWeight: 495.78429

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)Cl)[N+](=C1C=CN(C3=CC=CC=C3)C(=O)C)CC.[I-]

Isomeric SMILES

CCN1C2=C(C=CC(=C2)Cl)[N+](=C1/C=C/N(C3=CC=CC=C3)C(=O)C)CC.[I-]

InChI

InChI=1S/C21H23ClN3O.HI/c1-4-23-19-12-11-17(22)15-20(19)24(5-2)21(23)13-14-25(16(3)26)18-9-7-6-8-10-18;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1