Clofilium

enlarge

Systematic / IUPAC Name: 4-(4-Chlorophenyl)butyl-diethyl-heptylammonium

ID: Reference1992

Other Names: Benzenebutanaminium, 4-chloro-N,N-diethyl-N-heptyl-;
4-Chloro-N,N-diethyl-N-heptylbenzenebutanaminium;
N-[4-(4-Chlorophenyl)butyl]-N,N-diethylheptan-1-aminium;
N-[4-(4-Chlorophenyl)butyl]-N-,N-diethyl-1-heptanaminium

Formula: C21H37ClN+

Class: Therapeutics/Prescription Drugs

Spectral Data

Clofilium mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/8/2015 1:47:29 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1
InChI Key WPSYTTKBGAZSCX-UHFFFAOYSA-N
Canonical SMILES CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl
CAS 92953101
Splash
Other Names Benzenebutanaminium, 4-chloro-N,N-diethyl-N-heptyl-;
4-Chloro-N,N-diethyl-N-heptylbenzenebutanaminium;
N-[4-(4-Chlorophenyl)butyl]-N,N-diethylheptan-1-aminium;
N-[4-(4-Chlorophenyl)butyl]-N-,N-diethyl-1-heptanaminium

In Other Databases

ChemIDPlus 068379022; 092953101
Wikipedia Clofilium
ChEMBL CHEMBL9484
ChemSpider 2696
PubChem 2798
KEGG C13772