1-(3-INDOLYL(METHYLTHIO)METHYLENE)PYRROLIDINIUM IODIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H17N2S.I
Molecular Weight	372.268
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(3-INDOLYL(METHYLTHIO)METHYLENE)PYRROLIDINIUM IODIDE

Structure Search

SMILES

[I-].CSC(C1=CNC2=C1C=CC=C2)=[N+]3CCCC3

InChI

InChIKey=IUBLTMLHKZCPDU-UHFFFAOYSA-N

InChI=1S/C14H16N2S.HI/c1-17-14(16-8-4-5-9-16)12-10-15-13-7-3-2-6-11(12)13;/h2-3,6-7,10H,4-5,8-9H2,1H3;1H

HIDE SMILES / InChI

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

Molecular Formula	C14H16N2S
Molecular Weight	244.355
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:47:33 GMT 2023` Edited by `admin` on `Fri Dec 15 17:47:33 GMT 2023`
Record UNII	N4W8KE1723
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-(3-INDOLYL(METHYLTHIO)METHYLENE)PYRROLIDINIUM IODIDE

Systematic Name

English

PYRROLIDINIUM, 1-(1H-INDOL-3-YL(METHYLTHIO)METHYLENE)-, IODIDE (1:1)

Systematic Name

English

1-(3-INDOLYL(METHYLTHIO)METHYLENE) PYRROLIDINIUM IODIDE

Systematic Name

English

PYRROLIDINIUM, 1-(3-INDOLYL(METHYLTHIO)METHYLENE)-, IODIDE

Systematic Name

English

PYRROLIDINIUM, 1-(1H-INDOL-3-YL(METHYLTHIO)METHYLENE)-, IODIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

21118370

Created by admin on Fri Dec 15 17:47:33 GMT 2023 , Edited by admin on Fri Dec 15 17:47:33 GMT 2023

PRIMARY

FDA UNII

N4W8KE1723

Created by admin on Fri Dec 15 17:47:33 GMT 2023 , Edited by admin on Fri Dec 15 17:47:33 GMT 2023

PRIMARY

EPA CompTox

DTXSID10970260

Created by admin on Fri Dec 15 17:47:33 GMT 2023 , Edited by admin on Fri Dec 15 17:47:33 GMT 2023

PRIMARY

CAS

54921-50-5

Created by admin on Fri Dec 15 17:47:33 GMT 2023 , Edited by admin on Fri Dec 15 17:47:33 GMT 2023

PRIMARY