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Details

Stereochemistry ACHIRAL
Molecular Formula C9H13N2O3.Br
Molecular Weight 277.115
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N,N,N-Trimethyl-2-(5-nitro-2-furanyl)ethenaminium bromide

SMILES

[Br-].C[N+](C)(C)\C=C\C1=CC=C(O1)[N+]([O-])=O

InChI

InChIKey=FKZZWBNOOIOVMQ-UHDJGPCESA-M
InChI=1S/C9H13N2O3.BrH/c1-11(2,3)7-6-8-4-5-9(14-8)10(12)13;/h4-7H,1-3H3;1H/q+1;/p-1/b7-6+;

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H13N2O3
Molecular Weight 197.2111
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
XFP647G6RV
Record Status Validated (UNII)
Record Version