2-(2,3-dimethylimidazol-3-ium-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline; tris(fluoranyl)methanesulfonate Openeye Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline; trifluoromethanesulfonate CAS Name: 2-[(2,3-dimethyl-1-imidazol-3-iumyl)sulfonyl]-3,4-dihydro-1H-isoquinoline; trifluoromethanesulfonate IUPAC Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline; trifluoromethanesulfonate Traditional Name: 2-(2,3-dimethylimidazol-3-ium-1-yl)sulfonyl-3,4-dihydro-1H-isoquinoline triflate Formula: C15H18F3N3O5S2 MolecularWeight: 441.44573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1S(=O)(=O)N2CCC3=CC=CC=C3C2)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C=CN1S(=O)(=O)N2CCC3=CC=CC=C3C2)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H18N3O2S.CHF3O3S/c1-12-15(2)9-10-17(12)20(18,19)16-8-7-13-5-3-4-6-14(13)11-16;2-1(3,4)8(5,6)7/h3-6,9-10H,7-8,11H2,1-2H3;(H,5,6,7)/q+1;/p-1