(Q27145690)

2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium (English)

19 October 2016

chemical formula

C₁₇H₁₉N₂S⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C

1 reference

2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium (English)

InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1

19 October 2016

Identifiers

InChI

1 reference

2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium (English)

FXEKRIDRIFBJOR-UHFFFAOYSA-N

19 October 2016

InChIKey

2 references

2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium (English)

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-[4-(Dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium (English)

19 October 2016

2 references

2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium (English)

matched by identifier from

19 October 2016

InChIKey

FXEKRIDRIFBJOR-UHFFFAOYSA-N

Reaxys registry number

3910379

1 reference

thioflavin T cation (English)

19 October 2016

ChEBI ID

76034

mapping relation type

2 references

thioflavin T cation (English)

matched by identifier from

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C17H19N2S/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3/h5-11H,1-4H3/q+1

1 reference

matched by identifier from

CHEMBL57267 (English)

19 October 2016

1 reference

1 reference

InChIKey

FXEKRIDRIFBJOR-UHFFFAOYSA-N

0 references

1 reference

3MZT (English)

19 October 2016

1 reference

4RA3 (English)

19 October 2016

1 reference

3MYZ (English)