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Details

Stereochemistry EPIMERIC
Molecular Formula C18H30NO2
Molecular Weight 292.4363
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of MDL-74405 ION

SMILES

CC1=C(O)C(C)=C2CC[C@@](C)(CC[N+](C)(C)C)OC2=C1C

InChI

InChIKey=CYFUJFPQQKYUKZ-SFHVURJKSA-O
InChI=1S/C18H29NO2/c1-12-13(2)17-15(14(3)16(12)20)8-9-18(4,21-17)10-11-19(5,6)7/h8-11H2,1-7H3/p+1/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H30NO2
Molecular Weight 292.4363
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:53:20 GMT 2025
Edited
by admin
on Tue Apr 01 20:53:20 GMT 2025
Record UNII
8R9CC160PS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MDL-74405 ION
Common Name English
2H-1-BENZOPYRAN-2-ETHANAMINIUM, 3,4-DIHYDRO-6-HYDROXY-N,N,N,2,5,7,8-HEPTAMETHYL-, (2S)-
Preferred Name English
Code System Code Type Description
FDA UNII
8R9CC160PS
Created by admin on Tue Apr 01 20:53:20 GMT 2025 , Edited by admin on Tue Apr 01 20:53:20 GMT 2025
PRIMARY
PUBCHEM
9934121
Created by admin on Tue Apr 01 20:53:20 GMT 2025 , Edited by admin on Tue Apr 01 20:53:20 GMT 2025
PRIMARY
CAS
146832-00-0
Created by admin on Tue Apr 01 20:53:20 GMT 2025 , Edited by admin on Tue Apr 01 20:53:20 GMT 2025
PRIMARY
Related Record Type Details
IONIC MOIETY