(Q27077008)

Pseudoisocyanine (English)

3 October 2016

chemical formula

C₂₃H₂₃N₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41

1 reference

Pseudoisocyanine (English)

3 October 2016

isomeric SMILES

CCN1/C(=C/C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41

1 reference

Pseudoisocyanine (English)

InChI=1S/C23H23N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-17H,3-4H2,1-2H3/q+1

3 October 2016

Identifiers

InChI

1 reference

Pseudoisocyanine (English)

AGJZCWVTGOVGBS-UHFFFAOYSA-N

3 October 2016

InChIKey

2 references

Pseudoisocyanine (English)

AGJZCWVTGOVGBS-UHFFFAOYSA-N

3 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

20766-49-8

1 reference

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=20766-49-8

1 reference

1,1'-diethyl-2,2'-cyanine (English)

3 October 2016

1 reference

Pseudoisocyanine (English)

3 October 2016

Reaxys registry number

3566502

0 references

ChEBI ID

37994

mapping relation type

1 reference

CHEMBL1197556 (English)

3 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

CHEMBL1197556 (English)

3 October 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID0097326

0 references

Guide to Pharmacology Ligand ID

8482

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

8482

decynium 22 (English)