3H-Indolium, 2-((2-(4-ethoxyphenyl)-2-methylhydrazinylidene)methyl)-1,3,3-trimethyl-, methyl sulfate (1:1)
Basic information
- CAS
64130-98-9- Standard SMILES
CCOc1ccc(CN/N=C/C2=[N+](C)c3ccccc3C2(C)C)cc1.COS(=O)(=O)[O-]- InChIKey
IEWLKAVHPQHKIX-UHFFFAOYSA-N- Molecular formula
- C22H29N3O5S
- Average molar mass
- 447.5 g/mol
- Monoisotopic mass
- 447.18279221
Names & identifiers
- Preferred name
- 3H-Indolium, 2-((2-(4-ethoxyphenyl)-2-methylhydrazinylidene)methyl)-1,3,3-trimethyl-, methyl sulfate (1:1)
- IUPAC
- 1-(4-ethoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine;methyl sulfate
Names & synonyms
3H-Indolium, 2-(((4-ethoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-, methyl sulfate3H-Indolium, 2-(((p-ethoxyphenyl)methylhydrazono)methyl)-1,3,3-trimethyl-, methyl sulfate2-(N-(4-Ethoxy-N-methylanilino)formidoyl)-1,3,3-trimethyl-3H-indolium methosulfate3H-Indolium, 2-((2-(4-ethoxyphenyl)-2-methylhydrazinylidene)methyl)-1,3,3-trimethyl-, methyl sulfate (1:1)3H-Indolium, 2-[[(4-ethoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-, methyl sulfateDTXSID908912673H-Indolium, 2-[[2-(4-ethoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl-, methyl sulfate (1:1)RefChem:95762DTXCID20103043264130-98-9
Database identifiers
- CAS
64130-98-9- PubChem CID
- 9567941
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 594
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Indolium, 2-[[2-(4-ethoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl-, methyl sulfate (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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