1-(1-adamantyl)-3-[[3-[[3-(1-adamantyl)imidazol-1-ium-1-yl]methyl]-5-tert-butyl-phenyl]methyl]imidazol-3-ium

Systemtic Name: 1-(1-adamantyl)-3-[[3-[[3-(1-adamantyl)imidazol-1-ium-1-yl]methyl]-5-tert-butyl-phenyl]methyl]imidazol-3-ium Openeye Name: 1-(1-adamantyl)-3-[[3-[[3-(1-adamantyl)imidazol-1-ium-1-yl]methyl]-5-tert-butyl-phenyl]methyl]imidazol-3-ium CAS Name: 1-(1-adamantyl)-3-[[3-[[3-(1-adamantyl)-1-imidazol-1-iumyl]methyl]-5-tert-butylphenyl]methyl]imidazol-3-ium IUPAC Name: 1-(1-adamantyl)-3-[[3-[[3-(1-adamantyl)imidazol-1-ium-1-yl]methyl]-5-tert-butylphenyl]methyl]imidazol-3-ium Traditional Name: 1-(1-adamantyl)-3-[3-[[3-(1-adamantyl)imidazol-1-ium-1-yl]methyl]-5-tert-butyl-benzyl]imidazol-3-ium Formula: C38H52N4+2 MolecularWeight: 564.84628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C[N+]2=CN(C=C2)C34CC5CC(C3)CC(C5)C4)C[N+]6=CN(C=C6)C78CC9CC(C7)CC(C9)C8

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C[N+]2=CN(C=C2)C34CC5CC(C3)CC(C5)C4)C[N+]6=CN(C=C6)C78CC9CC(C7)CC(C9)C8

InChI

InChI=1S/C38H52N4/c1-36(2,3)35-15-33(23-39-4-6-41(25-39)37-17-27-8-28(18-37)10-29(9-27)19-37)14-34(16-35)24-40-5-7-42(26-40)38-20-30-11-31(21-38)13-32(12-30)22-38/h4-7,14-16,25-32H,8-13,17-24H2,1-3H3/q+2