penoctonium (Q27262935)

Penoctonium (English)

14 October 2016

chemical formula

C₂₆H₅₀NO₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2

1 reference

Penoctonium (English)

InChI=1S/C26H50NO2/c1-4-7-8-9-10-15-20-27(5-2,6-3)21-22-29-26(28)25(23-16-11-12-17-23)24-18-13-14-19-24/h23-25H,4-22H2,1-3H3/q+1

14 October 2016

Identifiers

InChI

1 reference

Penoctonium (English)

14 October 2016

1 reference

Global Substance Registration System

Penoctonium (English)

14 October 2016

1 reference

UNII

5VT390WD2G

penoctonium (English)

14 October 2016

1 reference

N-[2-(2,2-Dicyclopentylacetoxy)ethyl]-N,N-diethyl-1-octanaminium (English)

14 October 2016

2 references

Penoctonium (English)

matched by identifier from

14 October 2016

1 reference

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

PENOCTONIUM (English)

14 October 2016

1 reference

2 references

matched by identifier from

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

5VT390WD2G

penoctonium (English)

matched by identifier from

14 October 2016