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Details

Stereochemistry ACHIRAL
Molecular Formula C14H19N2.I
Molecular Weight 342.2185
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-cyano-1,1-dimethyl-4-phenylpiperidin-1-ium iodide

SMILES

[I-].C[N+]1(C)CCC(CC1)(C#N)C2=CC=CC=C2

InChI

InChIKey=VTRIROHHIWNDNM-UHFFFAOYSA-M
InChI=1S/C14H19N2.HI/c1-16(2)10-8-14(12-15,9-11-16)13-6-4-3-5-7-13;/h3-7H,8-11H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C14H19N2
Molecular Weight 215.3141
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Molecular Formula I
Molecular Weight 126.90447
Charge -1
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 Tue Apr 01 20:04:05 GMT 2025
Edited
by admin
on Tue Apr 01 20:04:05 GMT 2025
Record UNII
5ND9RB2FB8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-cyano-1,1-dimethyl-4-phenylpiperidin-1-ium iodide
Systematic Name English
NSC-401414
Preferred Name English
Piperidinium, 4-cyano-1,1-dimethyl-4-phenyl-, iodide (1:1)
Systematic Name English
Piperidinium, 4-cyano-1,1-dimethyl-4-phenyl-, iodide
Systematic Name English
Code System Code Type Description
PUBCHEM
24200816
Created by admin on Tue Apr 01 20:04:05 GMT 2025 , Edited by admin on Tue Apr 01 20:04:05 GMT 2025
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FDA UNII
5ND9RB2FB8
Created by admin on Tue Apr 01 20:04:05 GMT 2025 , Edited by admin on Tue Apr 01 20:04:05 GMT 2025
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CAS
7476-27-9
Created by admin on Tue Apr 01 20:04:05 GMT 2025 , Edited by admin on Tue Apr 01 20:04:05 GMT 2025
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EPA CompTox
DTXSID30996280
Created by admin on Tue Apr 01 20:04:05 GMT 2025 , Edited by admin on Tue Apr 01 20:04:05 GMT 2025
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NSC
401414
Created by admin on Tue Apr 01 20:04:05 GMT 2025 , Edited by admin on Tue Apr 01 20:04:05 GMT 2025
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