methylbenactyzium (Q27256775)

Methylbenactyzium (English)

14 October 2016

chemical formula

C₂₁H₂₈NO₃⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O

1 reference

Methylbenactyzium (English)

InChI=1S/C21H28NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,24H,4-5,16-17H2,1-3H3/q+1

14 October 2016

Identifiers

InChI

1 reference

Methylbenactyzium (English)

HDAMOICMOAXFLJ-UHFFFAOYSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Methylbenactyzium (English)

14 October 2016

1 reference

UNII

38C3R34UK2

methylbenactyzium (English)

14 October 2016

1 reference

N,N-Diethyl-2-[2-hydroxy(diphenyl)acetoxy]-N-methylethanaminium (English)

14 October 2016

1 reference

Methylbenactyzium (English)

14 October 2016

1 reference

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

METHYLBENACTYZIUM (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

Methylbenactyzium (English)

3 July 2018

1 reference

UNII

38C3R34UK2

methylbenactyzium (English)