2-(1-adamantyl)-1-methyl-4H-pyrazolo[1,5-a]indol-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-(1-adamantyl)-1-methyl-4H-pyrazolo[1,5-a]indol-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-(1-adamantyl)-1-methyl-4H-pyrazolo[1,5-a]indol-1-ium; trifluoromethanesulfonate CAS Name: 2-(1-adamantyl)-1-methyl-4H-pyrazolo[1,5-a]indol-1-ium; trifluoromethanesulfonate IUPAC Name: 2-(1-adamantyl)-1-methyl-4H-pyrazolo[1,5-a]indol-1-ium; trifluoromethanesulfonate Traditional Name: 2-(1-adamantyl)-1-methyl-4H-pyrazol[1,5-a]indol-1-ium triflate Formula: C22H25F3N2O3S MolecularWeight: 454.50571

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C2N1C3=CC=CC=C3C2)C45CC6CC(C4)CC(C6)C5.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=C2N1C3=CC=CC=C3C2)C45CC6CC(C4)CC(C6)C5.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H25N2.CHF3O3S/c1-22-20(10-18-9-17-4-2-3-5-19(17)23(18)22)21-11-14-6-15(12-21)8-16(7-14)13-21;2-1(3,4)8(5,6)7/h2-5,10,14-16H,6-9,11-13H2,1H3;(H,5,6,7)/q+1;/p-1