1-ethyl-2,3,3-trimethyl-5-thiophen-2-yl-indol-1-ium tetrafluoroborate

Systemtic Name: 1-ethyl-2,3,3-trimethyl-5-thiophen-2-yl-indol-1-ium tetrafluoroborate Openeye Name: 1-ethyl-2,3,3-trimethyl-5-(2-thienyl)indol-1-ium tetrafluoroborate CAS Name: 1-ethyl-2,3,3-trimethyl-5-thiophen-2-ylindol-1-ium tetrafluoroborate IUPAC Name: 1-ethyl-2,3,3-trimethyl-5-thiophen-2-ylindol-1-ium tetrafluoroborate Traditional Name: 1-ethyl-2,3,3-trimethyl-5-(2-thienyl)indol-1-ium tetrafluoroborate Formula: C17H20BF4NS MolecularWeight: 357.217013

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC[N+]1=C(C(C2=C1C=CC(=C2)C3=CC=CS3)(C)C)C

Isomeric SMILES

[B-](F)(F)(F)F.CC[N+]1=C(C(C2=C1C=CC(=C2)C3=CC=CS3)(C)C)C

InChI

InChI=1S/C17H20NS.BF4/c1-5-18-12(2)17(3,4)14-11-13(8-9-15(14)18)16-7-6-10-19-16;2-1(3,4)5/h6-11H,5H2,1-4H3;/q+1;-1