Basic information
- CAS
59921-88-9- Standard SMILES
O=C(CCC[NH+]1CCCC1)c1ccc2ccccc2c1.[Cl-]- InChIKey
FGCVYZATVSLZLT-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO
- Average molar mass
- 303.8 g/mol
- Monoisotopic mass
- 303.138992
Names & identifiers
- Preferred name
- 1-(Naphthalen-2-yl)-4-(pyrrolidin-1-yl)butan-1-one--hydrogen chloride (1/1)
- IUPAC
- 1-naphthalen-2-yl-4-pyrrolidin-1-ium-1-ylbutan-1-one chloride
Names & synonyms
59921-88-9DTXSID409753491-(Naphthalen-2-yl)-4-(pyrrolidin-1-yl)butan-1-one--hydrogen chloride (1/1)RefChem:1054725DTXCID7014027554-(Pyrrolidinyl)-2'-butyronaphthone hydrochloride2'-BUTYRONAPHTHONE, 4-(PYRROLIDINYL)-, HYDROCHLORIDE
Database identifiers
- CAS
59921-88-9- PubChem CID
- 43136
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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