1-azanylidene-3-(trifluoromethyl)-2H-pyridin-1-ium; 2,4,6-trimethylbenzenesulfonic acid

Systemtic Name: 1-azanylidene-3-(trifluoromethyl)-2H-pyridin-1-ium; 2,4,6-trimethylbenzenesulfonic acid Openeye Name: 1-imino-3-(trifluoromethyl)-2H-pyridin-1-ium; 2,4,6-trimethylbenzenesulfonic acid CAS Name: 1-imino-3-(trifluoromethyl)-2H-pyridin-1-ium; 2,4,6-trimethylbenzenesulfonic acid IUPAC Name: 1-imino-3-(trifluoromethyl)-2H-pyridin-1-ium; 2,4,6-trimethylbenzenesulfonic acid Traditional Name: 1-imino-3-(trifluoromethyl)-2H-pyridin-1-ium; 2,4,6-trimethylbesylic acid Formula: C15H18F3N2O3S+ MolecularWeight: 363.37523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C.C1C(=CC=C[N+]1=N)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C.C1C(=CC=C[N+]1=N)C(F)(F)F

InChI

InChI=1S/C9H12O3S.C6H6F3N2/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;7-6(8,9)5-2-1-3-11(10)4-5/h4-5H,1-3H3,(H,10,11,12);1-3,10H,4H2/q;+1