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Details

Stereochemistry ACHIRAL
Molecular Formula C15H19N2S.I
Molecular Weight 386.294
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3-INDOLYL(METHYLTHIO)METHYLENE)PIPERIDINIUM IODIDE

SMILES

[I-].CSC(C1=CNC2=C1C=CC=C2)=[N+]3CCCCC3

InChI

InChIKey=OMFIBMTXPDPQIC-UHFFFAOYSA-N
InChI=1S/C15H18N2S.HI/c1-18-15(17-9-5-2-6-10-17)13-11-16-14-8-4-3-7-12(13)14;/h3-4,7-8,11H,2,5-6,9-10H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C15H18N2S
Molecular Weight 258.382
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula HI
Molecular Weight 127.9124
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:57:08 GMT 2023
Edited
by admin
on Fri Dec 15 17:57:08 GMT 2023
Record UNII
KCD96SWC6U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3-INDOLYL(METHYLTHIO)METHYLENE)PIPERIDINIUM IODIDE
Systematic Name English
PIPERIDINIUM, 1-(3-INDOLYL(METHYLTHIO)METHYLENE)-, IODIDE
Systematic Name English
PIPERIDINIUM, 1-(1H-INDOL-3-YL(METHYLTHIO)METHYLENE)-, IODIDE
Systematic Name English
(INDOLYL-3')-1 METHYLTHIO PIPERIDINIMINIUM-1 METHANE (IODURE)
Common Name English
PIPERIDINIUM, 1-(1H-INDOL-3-YL(METHYLTHIO)METHYLENE)-, IODIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
KCD96SWC6U
Created by admin on Fri Dec 15 17:57:08 GMT 2023 , Edited by admin on Fri Dec 15 17:57:08 GMT 2023
PRIMARY
PUBCHEM
21118368
Created by admin on Fri Dec 15 17:57:08 GMT 2023 , Edited by admin on Fri Dec 15 17:57:08 GMT 2023
PRIMARY
CAS
54921-49-2
Created by admin on Fri Dec 15 17:57:08 GMT 2023 , Edited by admin on Fri Dec 15 17:57:08 GMT 2023
PRIMARY