Compound Summary


Stilonium iodide
  Compound Information
 Stilonium iodide

Compound Name:

Stilonium iodide

Compound CID:

6433339

Synonyms:

Stilonium iodide

MG 624

77257-42-2

MG624

MG-624

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Iupac Name:

triethyl-[2-[4-[(E)-2-phenylethenyl]phenoxy]ethyl]azanium;iodide

InChI:

InChI=1S/C22H30NO.HI/c1-4-23(5-2,6-3)18-19-24-22-16-14-21(15-17-22)13-12-20-10-8-7-9-11-20;/h7-17H,4-6,18-19H2,1-3H3;1H/q+1;/p-1/b13-12+;

InChIKey:

RDTKUZXIHMTSJO-UEIGIMKUSA-M

Canonical Smiles:

CC[N+](CC)(CC)CCOC1=CC=C(C=C1)C=CC2=CC=CC=C2.[I-]

Isomeric Smiles:

CC[N+](CC)(CC)CCOC1=CC=C(C=C1)/C=C/C2=CC=CC=C2.[I-]

Molecular Weight:

451.4

Molecular Formula:

C22H30INO

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 Stilonium iodide

Molecular Weight:

451.4

Molecular Formula:

C22H30INO

Hydrogen Bond Donor Count:

0

Hydrogen Bond Acceptor Count:

2

Rotatable Bond Count:

9

Heavy Atom Count:

25

Complexity:

339

  Synonyms
 Stilonium iodide

  Experimental Data
 Stilonium iodide

  Experimental Data Visualization
 Stilonium iodide

  Statistics Data
 Stilonium iodide

  Statistics Data Visualization
 Stilonium iodide