4-(4-CHLOROPHENYL)-1-(4-(DIMETHYLAMINO)-4-OXO-3,3-DIPHENYLBUTYL)-PYRIDINIUM

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

Structure Search

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

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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

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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

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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

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