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

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

Systemtic Name:1,3-bis(1-adamantyl)benzimidazol-3-ium chloride
Openeye Name:1,3-bis(1-adamantyl)benzimidazol-3-ium chloride
CAS Name:1,3-bis(1-adamantyl)benzimidazol-3-ium chloride
IUPAC Name:1,3-bis(1-adamantyl)benzimidazol-3-ium chloride
Traditional Name:1,3-bis(1-adamantyl)benzimidazol-3-ium chloride
Formula: C27H35ClN2
MolecularWeight: 423.0332
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H35N2.ClH/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;1H/q+1;/p-1


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