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Details

Stereochemistry ACHIRAL
Molecular Formula C20H22N2O.ClH
Molecular Weight 342.862
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1'-Benzylspiro(isoquinoline-1(2H),4'-piperidine)-3(4H)-one hydrochloride

SMILES

Cl.O=C1CC2=CC=CC=C2C3(CCN(CC4=CC=CC=C4)CC3)N1

InChI

InChIKey=PKMDLIJWPLFOHG-UHFFFAOYSA-N
InChI=1S/C20H22N2O.ClH/c23-19-14-17-8-4-5-9-18(17)20(21-19)10-12-22(13-11-20)15-16-6-2-1-3-7-16;/h1-9H,10-15H2,(H,21,23);1H

HIDE SMILES / InChI

Molecular Formula C20H22N2O
Molecular Weight 306.4015
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 Tue Apr 01 19:11:32 GMT 2025
Edited
by admin
on Tue Apr 01 19:11:32 GMT 2025
Record UNII
66J234U4LN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Spiro[isoquinoline-1(2H),4?-piperidin]-3(4H)-one, 1?-(phenylmethyl)-, hydrochloride
Preferred Name English
1'-Benzylspiro(isoquinoline-1(2H),4'-piperidine)-3(4H)-one hydrochloride
Systematic Name English
Spiro[isoquinoline-1(2H),4?-piperidin]-3(4H)-one, 1?-(phenylmethyl)-, monohydrochloride
Systematic Name English
Spiro[isoquinoline-1(2H),4?-piperidin]-3(4H)-one, 1?-(phenylmethyl)-, hydrochloride (1:1)
Systematic Name English
Spiro[isoquinoline-1(2H),4?-piperidin]-3(4H)-one, 1?-benzyl-, monohydrochloride
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00164919
Created by admin on Tue Apr 01 19:11:32 GMT 2025 , Edited by admin on Tue Apr 01 19:11:32 GMT 2025
PRIMARY
CAS
15198-52-4
Created by admin on Tue Apr 01 19:11:32 GMT 2025 , Edited by admin on Tue Apr 01 19:11:32 GMT 2025
PRIMARY
PUBCHEM
56842228
Created by admin on Tue Apr 01 19:11:32 GMT 2025 , Edited by admin on Tue Apr 01 19:11:32 GMT 2025
PRIMARY
FDA UNII
66J234U4LN
Created by admin on Tue Apr 01 19:11:32 GMT 2025 , Edited by admin on Tue Apr 01 19:11:32 GMT 2025
PRIMARY
ECHA (EC/EINECS)
239-254-4
Created by admin on Tue Apr 01 19:11:32 GMT 2025 , Edited by admin on Tue Apr 01 19:11:32 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE