3-methyl-2-(1,2,3,3-tetramethylindol-1-ium-5-yl)-1,3-benzothiazol-3-ium ditetrafluoroborate

Systemtic Name: 3-methyl-2-(1,2,3,3-tetramethylindol-1-ium-5-yl)-1,3-benzothiazol-3-ium ditetrafluoroborate Openeye Name: 3-methyl-2-(1,2,3,3-tetramethylindol-1-ium-5-yl)-1,3-benzothiazol-3-ium ditetrafluoroborate CAS Name: 3-methyl-2-(1,2,3,3-tetramethyl-5-indol-1-iumyl)-1,3-benzothiazol-3-ium ditetrafluoroborate IUPAC Name: 3-methyl-2-(1,2,3,3-tetramethylindol-1-ium-5-yl)-1,3-benzothiazol-3-ium ditetrafluoroborate Traditional Name: 3-methyl-2-(1,2,3,3-tetramethylindol-1-ium-5-yl)-1,3-benzothiazol-3-ium ditetrafluoroborate Formula: C20H22B2F8N2S MolecularWeight: 496.076306

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC1=[N+](C2=C(C1(C)C)C=C(C=C2)C3=[N+](C4=CC=CC=C4S3)C)C

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC1=[N+](C2=C(C1(C)C)C=C(C=C2)C3=[N+](C4=CC=CC=C4S3)C)C

InChI

InChI=1S/C20H22N2S.2BF4/c1-13-20(2,3)15-12-14(10-11-16(15)21(13)4)19-22(5)17-8-6-7-9-18(17)23-19;2*2-1(3,4)5/h6-12H,1-5H3;;/q+2;2*-1