1-ethyl-2-[(E,3Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3H-benzimidazol-1-ium-5-carbonitrile iodide

Systemtic Name: 1-ethyl-2-[(E,3Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3H-benzimidazol-1-ium-5-carbonitrile iodide Openeye Name: 1-ethyl-2-[(E,3Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3H-benzimidazol-1-ium-5-carbonitrile iodide CAS Name: 1-ethyl-2-[(E,3Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3H-benzimidazol-1-ium-5-carbonitrile iodide IUPAC Name: 1-ethyl-2-[(E,3Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3H-benzimidazol-1-ium-5-carbonitrile iodide Traditional Name: 1-ethyl-2-[(E,3Z)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-3H-benzimidazol-1-ium-5-carbonitrile iodide Formula: C28H25IN4O MolecularWeight: 560.42877

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C3=CC=CC=C3)OC1=CC=CC4=[N+](C5=C(N4)C=C(C=C5)C#N)CC.[I-]

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)C3=CC=CC=C3)O/C1=C\C=C\C4=[N+](C5=C(N4)C=C(C=C5)C#N)CC.[I-]

InChI

InChI=1S/C28H24N4O.HI/c1-3-31-24-15-13-20(19-29)17-23(24)30-27(31)11-8-12-28-32(4-2)25-18-22(14-16-26(25)33-28)21-9-6-5-7-10-21;/h5-18H,3-4H2,1-2H3;1H/b11-8+,28-12-;