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

Systemtic Name: 1,3-diethyl-2-[(E,3E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]benzimidazol-1-ium-5-carbonitrile iodide Openeye Name: 1,3-diethyl-2-[(E,3E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]benzimidazol-1-ium-5-carbonitrile iodide CAS Name: 1,3-diethyl-2-[(E,3E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]-5-benzimidazol-1-iumcarbonitrile iodide IUPAC Name: 1,3-diethyl-2-[(E,3E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]benzimidazol-1-ium-5-carbonitrile iodide Traditional Name: 1,3-diethyl-2-[(E,3E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]benzimidazol-1-ium-5-carbonitrile iodide Formula: C30H29IN4O MolecularWeight: 588.48193

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C#N)[N+](=C1C=CC=C3N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CC)CC.[I-]

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C#N)[N+](=C1/C=C/C=C/3\N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CC)CC.[I-]

InChI

InChI=1S/C30H29N4O.HI/c1-4-32-25-17-15-22(21-31)19-26(25)33(5-2)29(32)13-10-14-30-34(6-3)27-20-24(16-18-28(27)35-30)23-11-8-7-9-12-23;/h7-20H,4-6H2,1-3H3;1H/q+1;/p-1