adamantane-1-sulfonic acid; 1-methyl-6-(trifluoromethyl)quinolin-1-ium

Systemtic Name: adamantane-1-sulfonic acid; 1-methyl-6-(trifluoromethyl)quinolin-1-ium Openeye Name: adamantane-1-sulfonic acid; 1-methyl-6-(trifluoromethyl)quinolin-1-ium CAS Name: 1-adamantanesulfonic acid; 1-methyl-6-(trifluoromethyl)quinolin-1-ium IUPAC Name: adamantane-1-sulfonic acid; 1-methyl-6-(trifluoromethyl)quinolin-1-ium Traditional Name: adamantane-1-sulfonic acid; 1-methyl-6-(trifluoromethyl)quinolin-1-ium Formula: C21H25F3NO3S+ MolecularWeight: 428.48831

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C=CC(=C2)C(F)(F)F.C1C2CC3CC1CC(C2)(C3)S(=O)(=O)O

Isomeric SMILES

C[N+]1=CC=CC2=C1C=CC(=C2)C(F)(F)F.C1C2CC3CC1CC(C2)(C3)S(=O)(=O)O

InChI

InChI=1S/C11H9F3N.C10H16O3S/c1-15-6-2-3-8-7-9(11(12,13)14)4-5-10(8)15;11-14(12,13)10-4-7-1-8(5-10)3-9(2-7)6-10/h2-7H,1H3;7-9H,1-6H2,(H,11,12,13)/q+1;