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

Systemtic Name: N-[(E)-2-(1,3-diethyl-5-methoxy-benzimidazol-1-ium-2-yl)ethenyl]-N-phenyl-ethanamide iodide Openeye Name: N-[(E)-2-(1,3-diethyl-5-methoxy-benzimidazol-1-ium-2-yl)vinyl]-N-phenyl-acetamide iodide CAS Name: N-[(E)-2-(1,3-diethyl-5-methoxy-2-benzimidazol-1-iumyl)ethenyl]-N-phenylacetamide iodide IUPAC Name: N-[(E)-2-(1,3-diethyl-5-methoxybenzimidazol-1-ium-2-yl)ethenyl]-N-phenylacetamide iodide Traditional Name: N-[(E)-2-(1,3-diethyl-5-methoxy-benzimidazol-1-ium-2-yl)vinyl]-N-phenyl-acetamide iodide Formula: C22H26IN3O2 MolecularWeight: 491.36521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N3O2.HI/c1-5-23-20-13-12-19(27-4)16-21(20)24(6-2)22(23)14-15-25(17(3)26)18-10-8-7-9-11-18;/h7-16H,5-6H2,1-4H3;1H/q+1;/p-1