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Details

Stereochemistry ACHIRAL
Molecular Formula 2C22H23N2.O4S
Molecular Weight 726.925
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 3H-Indolium, 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-, sulfate (2:1)

SMILES

[O-]S([O-])(=O)=O.CC1=C(\C=C\C2=[N+](C)C3=C(C=CC=C3)C2(C)C)C4=C(N1)C=CC=C4.CC5=C(\C=C\C6=[N+](C)C7=C(C=CC=C7)C6(C)C)C8=C(N5)C=CC=C8

InChI

InChIKey=OAMVDYSGCJMUQA-UHFFFAOYSA-N
InChI=1S/2C22H22N2.H2O4S/c2*1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;1-5(2,3)4/h2*5-14H,1-4H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C22H23N2
Molecular Weight 315.4314
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula O4S
Molecular Weight 96.063
Charge -2
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 Sat Dec 16 20:08:57 GMT 2023
Edited
by admin
on Sat Dec 16 20:08:57 GMT 2023
Record UNII
6SP26XBD9P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3H-Indolium, 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-, sulfate (2:1)
Systematic Name English
1,3,3-Trimethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-3H-indolium sulfate (2:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
6441631
Created by admin on Sat Dec 16 20:08:57 GMT 2023 , Edited by admin on Sat Dec 16 20:08:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
255-197-8
Created by admin on Sat Dec 16 20:08:57 GMT 2023 , Edited by admin on Sat Dec 16 20:08:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID6068276
Created by admin on Sat Dec 16 20:08:57 GMT 2023 , Edited by admin on Sat Dec 16 20:08:57 GMT 2023
PRIMARY
FDA UNII
6SP26XBD9P
Created by admin on Sat Dec 16 20:08:57 GMT 2023 , Edited by admin on Sat Dec 16 20:08:57 GMT 2023
PRIMARY
CAS
41062-71-9
Created by admin on Sat Dec 16 20:08:57 GMT 2023 , Edited by admin on Sat Dec 16 20:08:57 GMT 2023
PRIMARY