Basic information
- Standard SMILES
CCN(CC)CCCOCCc1ccc2sccc2c1.O=C(O)C(=O)O- InChIKey
ZYUFASQHOMWGQG-UHFFFAOYSA-N- Molecular formula
- C19H27NO5S
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.16099414
Names & identifiers
- Preferred name
- N-[3-(2-benzo[b]thiophen-5-ylethoxy)propyl]-N,N-diethylamine oxalate
- IUPAC
- 3-[2-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylpropan-1-amine;oxalic acid
Names & synonyms
SCHEMBL3817540ZYUFASQHOMWGQG-UHFFFAOYSA-NN-[3-(2-benzo[b]thiophen-5-ylethoxy)propyl]-N,N-diethylamine oxalate
Database identifiers
- PubChem CID
- 22666288
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 329
Related reactions
1 records
Compound notes
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