2-Benzylisoquinolinium chloride

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H14N.Cl
Molecular Weight	255.742
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Benzylisoquinolinium chloride

Structure Search

SMILES

[Cl-].C(C1=CC=CC=C1)[N+]2=CC3=C(C=CC=C3)C=C2

InChI

InChIKey=RFBYOCFNLRHJGJ-UHFFFAOYSA-M

InChI=1S/C16H14N.ClH/c1-2-6-14(7-3-1)12-17-11-10-15-8-4-5-9-16(15)13-17;/h1-11,13H,12H2;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	C16H14N
Molecular Weight	220.2891
Charge	1
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 09:41:51 GMT 2023` Edited by `admin` on `Sat Dec 16 09:41:51 GMT 2023`
Record UNII	3GP9SPW8EG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Benzylisoquinolinium chloride

Systematic Name

English

Isoquinolinium, 2-(phenylmethyl)-, chloride

Common Name

English

Isoquinolinium, 2-(phenylmethyl)-, chloride (1:1)

Systematic Name

English

Code System Code Type Description

CAS

35674-56-7

Created by admin on Sat Dec 16 09:41:51 GMT 2023 , Edited by admin on Sat Dec 16 09:41:51 GMT 2023

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ECHA (EC/EINECS)

252-666-9

Created by admin on Sat Dec 16 09:41:51 GMT 2023 , Edited by admin on Sat Dec 16 09:41:51 GMT 2023

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FDA UNII

3GP9SPW8EG

Created by admin on Sat Dec 16 09:41:51 GMT 2023 , Edited by admin on Sat Dec 16 09:41:51 GMT 2023

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EPA CompTox

DTXSID5049651

Created by admin on Sat Dec 16 09:41:51 GMT 2023 , Edited by admin on Sat Dec 16 09:41:51 GMT 2023

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PUBCHEM

118855

Created by admin on Sat Dec 16 09:41:51 GMT 2023 , Edited by admin on Sat Dec 16 09:41:51 GMT 2023

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Related Record Type Details


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2-Benzylisoquinolinium

PARENT -> SALT/SOLVATE

Amount: