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Details

Stereochemistry ACHIRAL
Molecular Formula C7H15ClN.Cl
Molecular Weight 184.107
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (4-CHLORO-2-BUTENYL)TRIMETHYLAMMONIUM CHLORIDE

SMILES

[Cl-].C[N+](C)(C)C\C=C\CCl

InChI

InChIKey=ZMSLJULQLLRFMB-FXRZFVDSSA-M
InChI=1S/C7H15ClN.ClH/c1-9(2,3)7-5-4-6-8;/h4-5H,6-7H2,1-3H3;1H/q+1;/p-1/b5-4+;

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H15ClN
Molecular Weight 148.654
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:36:53 GMT 2025
Edited
by admin
on Wed Apr 02 11:36:53 GMT 2025
Record UNII
02W815J353
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-51218
Preferred Name English
(4-CHLORO-2-BUTENYL)TRIMETHYLAMMONIUM CHLORIDE
Systematic Name English
AMMONIUM, (4-CHLORO-2-BUTENYL)TRIMETHYL-, CHLORIDE
Systematic Name English
2-BUTEN-1-AMINIUM, 4-CHLORO-N,N,N-TRIMETHYL-, CHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
6437320
Created by admin on Wed Apr 02 11:36:53 GMT 2025 , Edited by admin on Wed Apr 02 11:36:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID70884051
Created by admin on Wed Apr 02 11:36:53 GMT 2025 , Edited by admin on Wed Apr 02 11:36:53 GMT 2025
PRIMARY
NSC
51218
Created by admin on Wed Apr 02 11:36:53 GMT 2025 , Edited by admin on Wed Apr 02 11:36:53 GMT 2025
PRIMARY
CAS
4237-07-4
Created by admin on Wed Apr 02 11:36:53 GMT 2025 , Edited by admin on Wed Apr 02 11:36:53 GMT 2025
PRIMARY
FDA UNII
02W815J353
Created by admin on Wed Apr 02 11:36:53 GMT 2025 , Edited by admin on Wed Apr 02 11:36:53 GMT 2025
PRIMARY