1,3-bis(1-adamantyl)benzimidazol-3-ium

Systemtic Name: 1,3-bis(1-adamantyl)benzimidazol-3-ium Openeye Name: 1,3-bis(1-adamantyl)benzimidazol-3-ium CAS Name: 1,3-bis(1-adamantyl)benzimidazol-3-ium IUPAC Name: 1,3-bis(1-adamantyl)benzimidazol-3-ium Traditional Name: 1,3-bis(1-adamantyl)benzimidazol-3-ium Formula: C27H35N2+ MolecularWeight: 387.5802

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=[N+](C5=CC=CC=C54)C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=[N+](C5=CC=CC=C54)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C27H35N2/c1-2-4-25-24(3-1)28(26-11-18-5-19(12-26)7-20(6-18)13-26)17-29(25)27-14-21-8-22(15-27)10-23(9-21)16-27/h1-4,17-23H,5-16H2/q+1