Basic information
- CAS
90094-62-5- Standard SMILES
COS(=O)(=O)[O-].COS(=O)(=O)[O-].C[N+](C)(C)Cc1cc2cc(Cc3ccc4[nH]c(C[N+](C)(C)C)cc4c3)ccc2[nH]1- InChIKey
OKYUCIOZVXYWGA-UHFFFAOYSA-L- Molecular formula
- C27H40N4O8S2
- Average molar mass
- 612.8 g/mol
- Monoisotopic mass
- 612.22875659
Names & identifiers
- Preferred name
- 1H-Indole-2-methanaminium, 5,5'-methylenebis(N,N,N-trimethyl-, bis(methyl sulfate)
- IUPAC
- methyl sulfate;trimethyl-[[5-[[2-[(trimethylazaniumyl)methyl]-1H-indol-5-yl]methyl]-1H-indol-2-yl]methyl]azanium
Names & synonyms
1H-Indole-2-methanaminium, 5,5'-methylenebis(N,N,N-trimethyl-, bis(methyl sulfate)90094-62-5DTXSID302380312,2'-Di(trimethylammoniummethyl)-bis(5-indolyl)methane dimethylsulfate5,5'-Methylenebis(N,N,N-trimethyl-1H-indole-2-methanaminium) bis(methyl sulfate)RefChem:238994DTXCID50160522N,N'-[Methylenebis(1H-indole-5,2-diylmethylene)]bis(N,N-dimethylmethanaminium) bis(methyl sulfate)
Database identifiers
- CAS
90094-62-5- PubChem CID
- 56040
- DTXSID
DTXSID30238031
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 591
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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