2-[(4-methylphenyl)sulfonylmethyl]isoquinolin-2-ium; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonylmethyl]isoquinolin-2-ium; tris(fluoranyl)methanesulfonic acid Openeye Name: 2-(p-tolylsulfonylmethyl)isoquinolin-2-ium; trifluoromethanesulfonic acid CAS Name: 2-[(4-methylphenyl)sulfonylmethyl]isoquinolin-2-ium; trifluoromethanesulfonic acid IUPAC Name: 2-[(4-methylphenyl)sulfonylmethyl]isoquinolin-2-ium; trifluoromethanesulfonic acid Traditional Name: 2-(tosylmethyl)isoquinolin-2-ium; triflic acid Formula: C18H17F3NO5S2+ MolecularWeight: 448.45649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C[N+]2=CC3=CC=CC=C3C=C2.C(F)(F)(F)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C[N+]2=CC3=CC=CC=C3C=C2.C(F)(F)(F)S(=O)(=O)O

InChI

InChI=1S/C17H16NO2S.CHF3O3S/c1-14-6-8-17(9-7-14)21(19,20)13-18-11-10-15-4-2-3-5-16(15)12-18;2-1(3,4)8(5,6)7/h2-12H,13H2,1H3;(H,5,6,7)/q+1;