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Basic information
- CAS
6320-14-5- Standard SMILES
CN1C(=CC=CC2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.[Cl-]- InChIKey
QCGOYKXFFGQDFY-UHFFFAOYSA-M- Molecular formula
- C25H29ClN2
- Average molar mass
- 393 g/mol
- Monoisotopic mass
- 392.20192661
Overview
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Names & identifiers
- Preferred name
- Astraphloxin
- IUPAC
- 1,3,3-trimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole chloride
Names & synonyms
Astraphloxin6320-14-5MFCD00071911C.I.Basic Red 12C25H29ClN2SCHEMBL1617392SCHEMBL1618046DTXSID7052315SCHEMBL16111523SCHEMBL29405167QCGOYKXFFGQDFY-UHFFFAOYSA-MNS00080879
Show more names
1,3,3-Trimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole;chloride1,3,3-trimethyl-2-[3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]indol-1-ium;chloride(2Z)-1,3,3-trimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole,chloride1,3,3-trimethyl-2-[3-(1,3,3-tri-methyl-1,3-dihydro-indol-2-ylidene)-propenyl]-3h-indolium chloride1,3,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3H-indol-1-ium chloride2-[3-(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-propenyl]-1,3,3-trimethyl-3H-indolium chloride
Database identifiers
- CAS
6320-14-5- PubChem CID
- 22781
- DTXSID
DTXSID7052315
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 623
Related reactions
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Compound notes
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