Basic information
- CAS
75078-40-9- Standard SMILES
COS(=O)(=O)[O-].COS(=O)(=O)[O-].C[N+](C)(C)Cc1ccc2[nH]cc(Cc3c[nH]c4ccc(C[N+](C)(C)C)cc34)c2c1- InChIKey
WBDMRTGEVLJHKD-UHFFFAOYSA-L- Molecular formula
- C27H40N4O8S2
- Average molar mass
- 612.8 g/mol
- Monoisotopic mass
- 612.22875659
Names & identifiers
- Preferred name
- Ammonium, (methylenebis(indole-3,5-diylmethylene))bis(trimethyl-, bismethanesulfate
- IUPAC
- methyl sulfate;trimethyl-[[3-[[5-[(trimethylazaniumyl)methyl]-1H-indol-3-yl]methyl]-1H-indol-5-yl]methyl]azanium
Names & synonyms
Bis(3-dimethylaminomethyl-5-indolyl)methane methosulfateAmmonium, (methylenebis(indole-3,5-diylmethylene))bis(trimethyl-, bismethanesulfate75078-40-9DTXSID20226048RefChem:319033DTXCID20148539N,N'-[Methylenebis(1H-indole-3,5-diylmethylene)]bis(N,N-dimethylmethanaminium) bis(methyl sulfate)
Database identifiers
- CAS
75078-40-9- PubChem CID
- 53161
- DTXSID
DTXSID20226048
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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