U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H20NO
Molecular Weight 194.2938
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of EMILIUM

SMILES

CC[N+](C)(C)Cc1cccc(c1)OC

InChI

InChIKey=AAKPJTCJKGHSJF-UHFFFAOYSA-N
InChI=1S/C12H20NO/c1-5-13(2,3)10-11-7-6-8-12(9-11)14-4/h6-9H,5,10H2,1-4H3/q+1

HIDE SMILES / InChI

Molecular Formula C12H20NO
Molecular Weight 194.2938
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Jun 26 16:41:02 UTC 2021
Edited
by admin
on Sat Jun 26 16:41:02 UTC 2021
Record UNII
TD4E39628G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMILIUM
Common Name English
BENZENEMETHANAMINIUM, N-ETHYL-3-METHOXY-N,N-DIMETHYL-
Systematic Name English
EMILIUM ION
Common Name English
EMILIUM CATION
Common Name English
Code System Code Type Description
EPA CompTox
46338-61-8
Created by admin on Sat Jun 26 16:41:03 UTC 2021 , Edited by admin on Sat Jun 26 16:41:03 UTC 2021
PRIMARY
CAS
46338-61-8
Created by admin on Sat Jun 26 16:41:03 UTC 2021 , Edited by admin on Sat Jun 26 16:41:03 UTC 2021
PRIMARY
FDA UNII
TD4E39628G
Created by admin on Sat Jun 26 16:41:03 UTC 2021 , Edited by admin on Sat Jun 26 16:41:03 UTC 2021
PRIMARY
PUBCHEM
9976107
Created by admin on Sat Jun 26 16:41:03 UTC 2021 , Edited by admin on Sat Jun 26 16:41:03 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY