Basic information
- CAS
7349-49-7- Standard SMILES
O=C(C[NH+]1CCCC1)c1csc2ccccc12.[Cl-]- InChIKey
KUPRXJGWLKSRGU-UHFFFAOYSA-N- Molecular formula
- C14H16ClNOS
- Average molar mass
- 281.8 g/mol
- Monoisotopic mass
- 281.064113
Names & identifiers
- Preferred name
- 1-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1)
- IUPAC
- 1-(1-benzothiophen-3-yl)-2-pyrrolidin-1-ium-1-ylethanone chloride
Names & synonyms
7349-49-7DTXSID109942491-(1-Benzothiophen-3-yl)-2-(pyrrolidin-1-yl)ethan-1-one--hydrogen chloride (1/1)RefChem:1053729DTXCID601421287Benzo(b)thien-3-yl pyrrolidinomethyl ketone hydrochloride3-(Pyrrolidinoacetyl)benzo(b)thiophene hydrochlorideBenzo(b)thiophene, 3-(pyrrolidinoacetyl)-, hydrochlorideKETONE, BENZO(b)THIEN-3-YL PYRROLIDINOMETHYL, HYDROCHLORIDE
Database identifiers
- CAS
7349-49-7- PubChem CID
- 23796
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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