(2Z)-1-ethyl-2-[(E)-3-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole;4-methylbenzenesulfonate
Basic information
- CAS
65294-07-7- Standard SMILES
CCN1/C(=C\C=C\C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc21.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
LWRDWVPZCVNXCD-UHFFFAOYSA-M- Molecular formula
- C34H40N2O3S
- Average molar mass
- 556.8 g/mol
- Monoisotopic mass
- 556.27596432
Overview
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Names & identifiers
- Preferred name
- (2Z)-1-ethyl-2-[(E)-3-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole;4-methylbenzenesulfonate
- IUPAC
- (2Z)-1-ethyl-2-[(E)-3-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethylindole;4-methylbenzenesulfonate
Database identifiers
- CAS
65294-07-7- PubChem CID
- 6504491
Properties
Computed structural properties
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 843
Related reactions
0 records
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Compound notes
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