2-[(E)-3-(1,3-dihexadecylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-dihexadecyl-benzimidazole

Systemtic Name: 2-[(E)-3-(1,3-dihexadecylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-dihexadecyl-benzimidazole Openeye Name: 2-[(E)-3-(1,3-dihexadecylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-dihexadecyl-benzimidazole CAS Name: 2-[(E)-3-(1,3-dihexadecyl-2-benzimidazol-3-iumyl)prop-2-enylidene]-1,3-dihexadecylbenzimidazole IUPAC Name: 2-[(E)-3-(1,3-dihexadecylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-dihexadecylbenzimidazole Traditional Name: 1,3-dicetyl-2-[(E)-3-(1,3-dicetylbenzimidazol-3-ium-2-yl)prop-2-enylidene]benzimidazole Formula: C81H143N4+ MolecularWeight: 1173.02892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1C=CC=C3N(C4=CC=CC=C4N3CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2[N+](=C1/C=C/C=C3N(C4=CC=CC=C4N3CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C81H143N4/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-61-72-82-76-66-57-58-67-77(76)83(73-62-54-50-46-42-38-34-30-26-22-18-14-10-6-2)80(82)70-65-71-81-84(74-63-55-51-47-43-39-35-31-27-23-19-15-11-7-3)78-68-59-60-69-79(78)85(81)75-64-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h57-60,65-71H,5-56,61-64,72-75H2,1-4H3/q+1