(Q27123689)

To-Pro-1 cation (English)

6 October 2016

chemical formula

C₂₄H₂₉N₃S²⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN1C2=CC=CC=C2SC1=CC3=CC=[N+](C4=CC=CC=C34)CCC[N+](C)(C)C

1 reference

To-Pro-1 cation (English)

6 October 2016

isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C\C3=CC=[N+](C4=CC=CC=C34)CCC[N+](C)(C)C

1 reference

To-Pro-1 cation (English)

InChI=1S/C24H29N3S/c1-25-22-12-7-8-13-23(22)28-24(25)18-19-14-16-26(15-9-17-27(2,3)4)21-11-6-5-10-20(19)21/h5-8,10-14,16,18H,9,15,17H2,1-4H3/q+2

6 October 2016

Identifiers

InChI

1 reference

To-Pro-1 cation (English)

BCTNMRNAMOIDHS-UHFFFAOYSA-N

6 October 2016

InChIKey

2 references

To-Pro-1 cation (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-Methyl-2-[(Z)-{1-[3-(trimethylammonio)propyl]-4(1H)-quinolinylidene}methyl]-1,3-benzothiazol-3-ium (English)

6 October 2016

1 reference

To-Pro-1 cation (English)

6 October 2016

ChEBI ID

52927

mapping relation type

1 reference

To-Pro-1(2+) (English)