N-(3H-benzimidazol-5-yl)-N-[1,1-dicyclopentyl-2,2-bis(4-phenylmethoxyphenyl)-3H-benzimidazol-1-ium-5-yl]nitramide

Systemtic Name: N-(3H-benzimidazol-5-yl)-N-[1,1-dicyclopentyl-2,2-bis(4-phenylmethoxyphenyl)-3H-benzimidazol-1-ium-5-yl]nitramide Openeye Name: N-(3H-benzimidazol-5-yl)-N-[2,2-bis(4-benzyloxyphenyl)-1,1-dicyclopentyl-3H-benzimidazol-1-ium-5-yl]nitramide CAS Name: N-(3H-benzimidazol-5-yl)-N-[1,1-dicyclopentyl-2,2-bis(4-phenylmethoxyphenyl)-3H-benzimidazol-1-ium-5-yl]nitramide IUPAC Name: N-(3H-benzimidazol-5-yl)-N-[1,1-dicyclopentyl-2,2-bis(4-phenylmethoxyphenyl)-3H-benzimidazol-1-ium-5-yl]nitramide Traditional Name: N-(3H-benzimidazol-5-yl)-N-[2,2-bis(4-benzoxyphenyl)-1,1-dicyclopentyl-3H-benzimidazol-1-ium-5-yl]nitramide Formula: C50H49N6O4+ MolecularWeight: 797.96186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[N+]2(C3=C(C=C(C=C3)N(C4=CC5=C(C=C4)N=CN5)[N+](=O)[O-])NC2(C6=CC=C(C=C6)OCC7=CC=CC=C7)C8=CC=C(C=C8)OCC9=CC=CC=C9)C1CCCC1

Isomeric SMILES

C1CCC(C1)[N+]2(C3=C(C=C(C=C3)N(C4=CC5=C(C=C4)N=CN5)[N+](=O)[O-])NC2(C6=CC=C(C=C6)OCC7=CC=CC=C7)C8=CC=C(C=C8)OCC9=CC=CC=C9)C1CCCC1

InChI

InChI=1S/C50H49N6O4/c57-55(58)54(40-23-29-46-47(31-40)52-35-51-46)41-24-30-49-48(32-41)53-50(56(49,42-15-7-8-16-42)43-17-9-10-18-43,38-19-25-44(26-20-38)59-33-36-11-3-1-4-12-36)39-21-27-45(28-22-39)60-34-37-13-5-2-6-14-37/h1-6,11-14,19-32,35,42-43,53H,7-10,15-18,33-34H2,(H,51,52)/q+1