2-(2-(3,4-Dihydro-6-methoxy-1(2H)-quinolyl)vinyl)-1,3,3-trimethyl-3H-indolium chloride
Basic information
- CAS
27326-17-6- Standard SMILES
COc1ccc2c(c1)CCC[N+]2=C/C=C1/N(C)c2ccccc2C1(C)C.[Cl-]- InChIKey
XXMSBXHSVOHTIJ-UHFFFAOYSA-M- Molecular formula
- C23H27ClN2O
- Average molar mass
- 382.9 g/mol
- Monoisotopic mass
- 382.1811912
Overview
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Names & identifiers
- Preferred name
- 2-(2-(3,4-Dihydro-6-methoxy-1(2H)-quinolyl)vinyl)-1,3,3-trimethyl-3H-indolium chloride
- IUPAC
- 6-methoxy-1-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3,4-dihydro-2H-quinolin-1-ium chloride
Names & synonyms
2-(2-(3,4-Dihydro-6-methoxy-1(2H)-quinolyl)vinyl)-1,3,3-trimethyl-3H-indolium chloride
Database identifiers
- CAS
27326-17-6- PubChem CID
- 6440978
Properties
Computed structural properties
- Topological polar surface area
- 15.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 579
Related reactions
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Compound notes
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