Basic information
- CAS
100311-10-2- Standard SMILES
CCCCCOc1cc(N)ccc1C(=O)SCC[NH+](CC)CC.[Cl-]- InChIKey
PCTWPGWWLUDMBT-UHFFFAOYSA-N- Molecular formula
- C18H31ClN2O2S
- Average molar mass
- 375 g/mol
- Monoisotopic mass
- 374.1794771
Names & identifiers
- Preferred name
- Benzoic acid, 4-amino-2-pentyloxythio-, S-(2-(diethylamino)ethyl) ester, monohydrochloride
- IUPAC
- 2-(4-amino-2-pentoxybenzoyl)sulfanylethyl-diethylazanium chloride
Names & synonyms
WIN 5334100311-10-24-Amino-2-pentyloxythiobenzoic acid S-2-(diethylamino)ethyl ester hydrochlorideBenzoic acid, 4-amino-2-pentyloxythio-, S-(2-(diethylamino)ethyl) ester, monohydrochlorideRefChem:3275172-(4-amino-2-pentoxybenzoyl)sulfanylethyl-diethylazanium;chlorideBENZOIC ACID, 4-AMINO-2-PENTYLOXYTHIO-, S-(2-(DIETHYLAMINO)ETHYL) ESTE R, MONOHYD
Database identifiers
- CAS
100311-10-2- PubChem CID
- 57730
Properties
Computed structural properties
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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