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Details

Stereochemistry ACHIRAL
Molecular Formula C29H28ClN2O
Molecular Weight 455.998
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 4-(4-CHLOROPHENYL)-1-(4-(DIMETHYLAMINO)-4-OXO-3,3-DIPHENYLBUTYL)-PYRIDINIUM

SMILES

CN(C)C(=O)C(CC[N+]1=CC=C(C=C1)C2=CC=C(Cl)C=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChIKey=LBNMLZDELWZPKV-UHFFFAOYSA-N
InChI=1S/C29H28ClN2O/c1-31(2)28(33)29(25-9-5-3-6-10-25,26-11-7-4-8-12-26)19-22-32-20-17-24(18-21-32)23-13-15-27(30)16-14-23/h3-18,20-21H,19,22H2,1-2H3/q+1

HIDE SMILES / InChI

Molecular Formula C29H28ClN2O
Molecular Weight 455.998
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 Sat Dec 16 10:18:41 GMT 2023
Edited
by admin
on Sat Dec 16 10:18:41 GMT 2023
Record UNII
PZ3A48737U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(4-CHLOROPHENYL)-1-(4-(DIMETHYLAMINO)-4-OXO-3,3-DIPHENYLBUTYL)-PYRIDINIUM
Systematic Name English
LOPERAMIDE METABOLITE M5
Common Name English
PYRIDINIUM, 4-(4-CHLOROPHENYL)-1-(4-(DIMETHYLAMINO)-4-OXO-3,3-DIPHENYLBUTYL)-
Systematic Name English
4-(4-CHLOROPHENYL)-1-(4-(DIMETHYLAMINO)-4-OXO-3,3-DIPHENYLBUTYL)-PYRIDINIUM ION
Common Name English
Code System Code Type Description
CAS
808740-61-6
Created by admin on Sat Dec 16 10:18:41 GMT 2023 , Edited by admin on Sat Dec 16 10:18:41 GMT 2023
PRIMARY
FDA UNII
PZ3A48737U
Created by admin on Sat Dec 16 10:18:41 GMT 2023 , Edited by admin on Sat Dec 16 10:18:41 GMT 2023
PRIMARY
PUBCHEM
124220637
Created by admin on Sat Dec 16 10:18:41 GMT 2023 , Edited by admin on Sat Dec 16 10:18:41 GMT 2023
PRIMARY