(E)-1-methyl-4-(2-(1-methyl-1H-indol-3-yl)vinyl)pyridin-1-ium iodide|1-methyl-4-[(E)-2-(1-methylindol-3-yl)ethenyl]pyridin-1-ium iodide|1-methyl-4-[(E)-2-(1-methyl-1H-indol-3-yl)ethenyl]pyridin-1-iu...

General Information

Structure

Molecular Formula

C₁₇H₁₇IN₂

Molecular Mass

376.23475

Exact Mass

376.04364655

Charge

InChI

InChI=1S/C17H17N2.HI/c1-18-11-9-14(10-12-18)7-8-15-13-19(2)17-6-4-3-5-16(15)17;/h3-13H,1-2H3;1H/q+1;/p-1

InChIKey

QKSVNOXBAYSRQY-UHFFFAOYSA-M

Canonic Smiles

C[n+]1ccc(cc1)/C=C/c1cn(c2c1cccc2)C.[I-]

Isomeric Smiles

n1(cc(c2c1cccc2)/C=C/c1cc[n+](cc1)C)C.[I-]

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.52551585

LogD (pH = 7.4)

-0.52551585

Log P

-0.52551585

Molar Refractivity

81.4945

Polarizability

31.73395

Polar Surface Area

8.81

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(E)-1-methyl-4-(2-(1-methyl-1H-indol-3-yl)vinyl)pyridin-1-ium iodide

IUPAC Traditional name

1-methyl-4-[(E)-2-(1-methylindol-3-yl)ethenyl]pyridin-1-ium iodide

IUPAC name

1-methyl-4-[(E)-2-(1-methyl-1H-indol-3-yl)ethenyl]pyridin-1-ium iodide

Names and Identifiers

Registration numbers

PubChem CID

44656466

PubChem SID

162108058

Registration numbers

Properties

Product Information

Salt Data

I-

Properties

Related Proteins

No Data Available

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:119354