emetonium (Q27291782)

Emetonium (English)

14 October 2016

C₂₀H₂₈NO⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

InChI=1S/C20H28NO/c1-4-21(3,5-2)16-17-22-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,4-5,16-17H2,1-3H3/q+1

Emetonium (English)

retrieved

14 October 2016

Identifiers

InChI

1 reference

Emetonium (English)

14 October 2016

1 reference

Global Substance Registration System

Emetonium (English)

14 October 2016

1 reference

UNII

VE7PHM5QLO

emetonium (English)

14 October 2016

1 reference

2-(Diphenylmethoxy)-N,N-diethyl-N-methylethanaminium (English)

14 October 2016

2 references

Emetonium (English)

retrieved

14 October 2016

InChIKey

ChEBI ID

135943

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C20H28NO/c1-4-21(3,5-2)16-17-22-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,4-5,16-17H2,1-3H3/q+1

1 reference

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

CHEMBL3707205 (English)

14 October 2016

1 reference

2 references

InChIKey

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

VE7PHM5QLO

emetonium (English)

retrieved

14 October 2016

InChIKey