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Details

Stereochemistry MIXED
Molecular Formula C19H20N.Cl
Molecular Weight 297.822
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-DIHYDRO-2,3-DIMETHYL-4-PHENYL-1,4-ETHANOISOQUINOLIUM CHLORIDE

SMILES

[Cl-].CC1=[N+](C)C2CCC1(C3=CC=CC=C3)C4=CC=CC=C24

InChI

InChIKey=KMXCFLDVCWKIMR-UHFFFAOYSA-M
InChI=1S/C19H20N.ClH/c1-14-19(15-8-4-3-5-9-15)13-12-18(20(14)2)16-10-6-7-11-17(16)19;/h3-11,18H,12-13H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H20N
Molecular Weight 262.3688
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED
StereoComments Assumed mixed

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 21:05:18 GMT 2025
Edited
by admin
on Tue Apr 01 21:05:18 GMT 2025
Record UNII
OL20DI71HV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-DIHYDRO-2,3-DIMETHYL-4-PHENYL-1,4-ETHANOISOQUINOLIUM CHLORIDE
Systematic Name English
1,4-ETHANOISOQUINOLINIUM, 1,4-DIHYDRO-2,3-DIMETHYL-4-PHENYL-, CHLORIDE (1:1)
Preferred Name English
Code System Code Type Description
CAS
3196-50-7
Created by admin on Tue Apr 01 21:05:18 GMT 2025 , Edited by admin on Tue Apr 01 21:05:18 GMT 2025
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PUBCHEM
18532
Created by admin on Tue Apr 01 21:05:18 GMT 2025 , Edited by admin on Tue Apr 01 21:05:18 GMT 2025
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EPA CompTox
DTXSID80953848
Created by admin on Tue Apr 01 21:05:18 GMT 2025 , Edited by admin on Tue Apr 01 21:05:18 GMT 2025
PRIMARY
FDA UNII
OL20DI71HV
Created by admin on Tue Apr 01 21:05:18 GMT 2025 , Edited by admin on Tue Apr 01 21:05:18 GMT 2025
PRIMARY