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Details

Stereochemistry RACEMIC
Molecular Formula C20H27N2O2S
Molecular Weight 359.506
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of DOTEFONIUM

SMILES

CN(CC[N+]1(C)CCCC1)C(=O)C(O)(C2=CC=CS2)C3=CC=CC=C3

InChI

InChIKey=JTZHVSMDSHENLZ-UHFFFAOYSA-N
InChI=1S/C20H27N2O2S/c1-21(12-15-22(2)13-6-7-14-22)19(23)20(24,18-11-8-16-25-18)17-9-4-3-5-10-17/h3-5,8-11,16,24H,6-7,12-15H2,1-2H3/q+1

HIDE SMILES / InChI
Name Type Language
DOTEFONIUM
Common Name English
1-METHYL-1-(2-(N-METHYL-.ALPHA.-2-THIENYLMANDELAMIDO)ETHYL)PYRROLIDINIUM
Common Name English
DOTEFONIUM CATION
Common Name English
DOTEFONIUM ION
Common Name English
PYRROLIDINIUM, 1-(2-((2-HYDROXY-2-PHENYL-2-(2-THIENYL)ACETYL)METHYLAMINO)ETHYL)-1-METHYL-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29704
Created by admin on Fri Dec 15 16:28:27 GMT 2023 , Edited by admin on Fri Dec 15 16:28:27 GMT 2023
Code System Code Type Description
FDA UNII
F41A22A3KV
Created by admin on Fri Dec 15 16:28:27 GMT 2023 , Edited by admin on Fri Dec 15 16:28:27 GMT 2023
PRIMARY
PUBCHEM
71914
Created by admin on Fri Dec 15 16:28:27 GMT 2023 , Edited by admin on Fri Dec 15 16:28:27 GMT 2023
PRIMARY
CAS
793604-71-4
Created by admin on Fri Dec 15 16:28:27 GMT 2023 , Edited by admin on Fri Dec 15 16:28:27 GMT 2023
PRIMARY
NCI_THESAURUS
C87490
Created by admin on Fri Dec 15 16:28:27 GMT 2023 , Edited by admin on Fri Dec 15 16:28:27 GMT 2023
PRIMARY