haloperidol pyridinium (Q27259091)

UNII-47Z7A2W953 (English)

14 October 2016

chemical formula

C₂₁H₁₈ClFNO⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=CC=C1C2=CC=[N+](C=C2)CCCC(=O)C3=CC=C(C=C3)F)Cl

1 reference

UNII-47Z7A2W953 (English)

InChI=1S/C21H18ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-12,14-15H,1-2,13H2/q+1

14 October 2016

Identifiers

InChI

1 reference

UNII-47Z7A2W953 (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-47Z7A2W953 (English)

14 October 2016

1 reference

UNII

47Z7A2W953

haloperidol pyridinium (English)

14 October 2016

1 reference

4-(4-Chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)pyridinium (English)

14 October 2016

2 references

UNII-47Z7A2W953 (English)

14 October 2016

ChEBI ID

178132

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C21H18ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-12,14-15H,1-2,13H2/q+1

1 reference

CHEMBL1269 (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID2077386

0 references

Human Metabolome Database ID

HMDB0061000

2 references

based on heuristic

inferred from InChIKey

Global Substance Registration System

UNII

47Z7A2W953

2 references

stated in

UNII

47Z7A2W953

haloperidol pyridinium (English)

14 October 2016