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Details

Stereochemistry ACHIRAL
Molecular Formula C6H13N2.I
Molecular Weight 240.0853
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N,N-Trimethyl-2-cyanoethylammonium iodide

SMILES

[I-].C[N+](C)(C)CCC#N

InChI

InChIKey=YAKABHOWYOWJFS-UHFFFAOYSA-M
InChI=1S/C6H13N2.HI/c1-8(2,3)6-4-5-7;/h4,6H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula HI
Molecular Weight 127.91241
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 C6H13N2
Molecular Weight 113.1808
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
2XUX9SHH3S
Record Status Validated (UNII)
Record Version