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Details

Stereochemistry ACHIRAL
Molecular Formula C18H25N.ClH
Molecular Weight 291.859
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-BUTYL-3-(4-METHYLPHENYL)-1-AZABICYCLO(2.2.2)OCT-2-ENE HYDROCHLORIDE

SMILES

Cl.CCCCC1=C(C2CCN1CC2)C3=CC=C(C)C=C3

InChI

InChIKey=WCOGAMFOYILSHM-UHFFFAOYSA-N
InChI=1S/C18H25N.ClH/c1-3-4-5-17-18(15-8-6-14(2)7-9-15)16-10-12-19(17)13-11-16;/h6-9,16H,3-5,10-13H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C18H25N
Molecular Weight 255.3978
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
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 18:44:57 UTC 2023
Edited
by admin
on Sat Dec 16 18:44:57 UTC 2023
Record UNII
DZZ3ZUU9JT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-BUTYL-3-(4-METHYLPHENYL)-1-AZABICYCLO(2.2.2)OCT-2-ENE HYDROCHLORIDE
Systematic Name English
1-AZABICYCLO(2.2.2)OCT-2-ENE, 2-BUTYL-3-(4-METHYLPHENYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
1-AZABICYCLO(2.2.2)OCT-2-ENE, 2-BUTYL-3-(4-METHYLPHENYL)-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
9965847
Created by admin on Sat Dec 16 18:44:57 UTC 2023 , Edited by admin on Sat Dec 16 18:44:57 UTC 2023
PRIMARY PUBCHEM
FDA UNII
DZZ3ZUU9JT
Created by admin on Sat Dec 16 18:44:57 UTC 2023 , Edited by admin on Sat Dec 16 18:44:57 UTC 2023
PRIMARY
CAS
401467-46-7
Created by admin on Sat Dec 16 18:44:57 UTC 2023 , Edited by admin on Sat Dec 16 18:44:57 UTC 2023
PRIMARY
Related Record Type Details
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