N-[(E)-2-cyano-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide iodide

Systemtic Name: N-[(E)-2-cyano-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide iodide Openeye Name: N-[(E)-2-cyano-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide iodide CAS Name: N-[(E)-2-cyano-2-(1,3-dimethyl-2-benzimidazol-3-iumyl)ethenyl]-N-phenylacetamide iodide IUPAC Name: N-[(E)-2-cyano-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethenyl]-N-phenylacetamide iodide Traditional Name: N-[(E)-2-cyano-2-(1,3-dimethylbenzimidazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide iodide Formula: C20H19IN4O MolecularWeight: 458.29553

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C=C(C#N)C1=[N+](C2=CC=CC=C2N1C)C)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC(=O)N(/C=C(\C#N)/C1=[N+](C2=CC=CC=C2N1C)C)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C20H19N4O.HI/c1-15(25)24(17-9-5-4-6-10-17)14-16(13-21)20-22(2)18-11-7-8-12-19(18)23(20)3;/h4-12,14H,1-3H3;1H/q+1;/p-1