Compound Summary


Clofilium tosylate
  Compound Information
 Clofilium tosylate

Compound Name:

Clofilium tosylate

Compound CID:

175533

Synonyms:

Clofilium tosylate

92953-10-1

N-(4-(4-Chlorophenyl)butyl)-N,N-diethylheptan-1-aminium 4-methylbenzenesulfonate

UNII-13ZVF1051K

13ZVF1051K

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Iupac Name:

4-(4-chlorophenyl)butyl-diethyl-heptylazanium;4-methylbenzenesulfonate

InChI:

InChI=1S/C21H37ClN.C7H8O3S/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20;1-6-2-4-7(5-3-6)11(8,9)10/h14-17H,4-13,18-19H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey:

MOQZYUUHIWPDQC-UHFFFAOYSA-M

Canonical Smiles:

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric Smiles:

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Molecular Weight:

510.2

Molecular Formula:

C28H44ClNO3S

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 Clofilium tosylate

Molecular Weight:

510.2

Molecular Formula:

C28H44ClNO3S

Hydrogen Bond Donor Count:

0

Hydrogen Bond Acceptor Count:

3

Rotatable Bond Count:

13

Heavy Atom Count:

34

Complexity:

460

  Synonyms
 Clofilium tosylate

  Experimental Data
 Clofilium tosylate

  Experimental Data Visualization
 Clofilium tosylate

  Statistics Data
 Clofilium tosylate

  Statistics Data Visualization
 Clofilium tosylate