(1-ethylquinolin-1-ium-4-yl) 4-methylbenzenesulfonate tetrafluoroborate

Systemtic Name: (1-ethylquinolin-1-ium-4-yl) 4-methylbenzenesulfonate tetrafluoroborate Openeye Name: (1-ethylquinolin-1-ium-4-yl) 4-methylbenzenesulfonate tetrafluoroborate CAS Name: 4-methylbenzenesulfonic acid (1-ethyl-4-quinolin-1-iumyl) ester tetrafluoroborate IUPAC Name: (1-ethylquinolin-1-ium-4-yl) 4-methylbenzenesulfonate tetrafluoroborate Traditional Name: 4-methylbenzenesulfonic acid (1-ethylquinolin-1-ium-4-yl) ester tetrafluoroborate Formula: C18H18BF4NO3S MolecularWeight: 415.210033

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC[N+]1=CC=C(C2=CC=CC=C21)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

[B-](F)(F)(F)F.CC[N+]1=CC=C(C2=CC=CC=C21)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H18NO3S.BF4/c1-3-19-13-12-18(16-6-4-5-7-17(16)19)22-23(20,21)15-10-8-14(2)9-11-15;2-1(3,4)5/h4-13H,3H2,1-2H3;/q+1;-1