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Details

Stereochemistry ACHIRAL
Molecular Formula C12H30N2.2C6H4NO2
Molecular Weight 446.5829
Optical Activity NONE
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NICOHEXONIUM

SMILES

[O-]C(=O)C1=CC=CN=C1.[O-]C(=O)C2=CC=CN=C2.C[N+](C)(C)CCCCCC[N+](C)(C)C

InChI

InChIKey=XQILZJGDWBRFIU-UHFFFAOYSA-L
InChI=1S/C12H30N2.2C6H5NO2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;2*8-6(9)5-2-1-3-7-4-5/h7-12H2,1-6H3;2*1-4H,(H,8,9)/q+2;;/p-2

HIDE SMILES / InChI

Molecular Formula C6H4NO2
Molecular Weight 122.1015
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H30N2
Molecular Weight 202.38
Charge 2
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:31:03 GMT 2025
Edited
by admin
on Mon Mar 31 22:31:03 GMT 2025
Record UNII
GV21SBM249
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXONAT
Preferred Name English
NICOHEXONIUM
Common Name English
1,6-HEXANEDIAMINIUM, N1,N1,N1,N6,N6,N6-HEXAMETHYL-, 3-PYRIDINECARBOXYLATE (1:2)
Systematic Name English
HEXONATE
Brand Name English
HEXAMETHONIUM NICOTINATE
Common Name English
HEXAMETHONIUM NIACINATE
Common Name English
Code System Code Type Description
CAS
4845-30-1
Created by admin on Mon Mar 31 22:31:03 GMT 2025 , Edited by admin on Mon Mar 31 22:31:03 GMT 2025
PRIMARY
CHEBI
33760
Created by admin on Mon Mar 31 22:31:03 GMT 2025 , Edited by admin on Mon Mar 31 22:31:03 GMT 2025
PRIMARY
PUBCHEM
199748
Created by admin on Mon Mar 31 22:31:03 GMT 2025 , Edited by admin on Mon Mar 31 22:31:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID40197529
Created by admin on Mon Mar 31 22:31:03 GMT 2025 , Edited by admin on Mon Mar 31 22:31:03 GMT 2025
PRIMARY
FDA UNII
GV21SBM249
Created by admin on Mon Mar 31 22:31:03 GMT 2025 , Edited by admin on Mon Mar 31 22:31:03 GMT 2025
PRIMARY