1,3-bis(1-adamantyl)-5,6-dimethoxy-benzimidazol-3-ium chloride

Systemtic Name: 1,3-bis(1-adamantyl)-5,6-dimethoxy-benzimidazol-3-ium chloride Openeye Name: 1,3-bis(1-adamantyl)-5,6-dimethoxy-benzimidazol-3-ium chloride CAS Name: 1,3-bis(1-adamantyl)-5,6-dimethoxybenzimidazol-3-ium chloride IUPAC Name: 1,3-bis(1-adamantyl)-5,6-dimethoxybenzimidazol-3-ium chloride Traditional Name: 1,3-bis(1-adamantyl)-5,6-dimethoxy-benzimidazol-3-ium chloride Formula: C29H39ClN2O2 MolecularWeight: 483.08516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C=[N+]2C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C=[N+]2C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7)OC.[Cl-]

InChI

InChI=1S/C29H39N2O2.ClH/c1-32-26-9-24-25(10-27(26)33-2)31(29-14-21-6-22(15-29)8-23(7-21)16-29)17-30(24)28-11-18-3-19(12-28)5-20(4-18)13-28;/h9-10,17-23H,3-8,11-16H2,1-2H3;1H/q+1;/p-1