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Details

Stereochemistry RACEMIC
Molecular Formula C12H18N
Molecular Weight 176.278
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of TRETHINIUM

SMILES

CC[N+]1(C)CCC2=C(C1)C=CC=C2

InChI

InChIKey=KTYUMBVKMXGUNR-UHFFFAOYSA-N
InChI=1S/C12H18N/c1-3-13(2)9-8-11-6-4-5-7-12(11)10-13/h4-7H,3,8-10H2,1-2H3/q+1

HIDE SMILES / InChI
Name Type Language
TRETHINIUM CATION
Preferred Name English
TRETHINIUM
Common Name English
TRETHINIUM ION
Common Name English
ISOQUINOLINIUM, 2-ETHYL-1,2,3,4-TETRAHYDRO-2-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
V28GBD5ED5
Created by admin on Mon Mar 31 21:11:58 GMT 2025 , Edited by admin on Mon Mar 31 21:11:58 GMT 2025
PRIMARY
PUBCHEM
71515
Created by admin on Mon Mar 31 21:11:58 GMT 2025 , Edited by admin on Mon Mar 31 21:11:58 GMT 2025
PRIMARY
CAS
46180-15-8
Created by admin on Mon Mar 31 21:11:58 GMT 2025 , Edited by admin on Mon Mar 31 21:11:58 GMT 2025
PRIMARY