Carbostyril, 3,4-dihydro-1-(2-piperidinoethyl)-, picrate
Basic information
- CAS
95227-19-3- Standard SMILES
O=C1CCc2ccccc2N1CC[NH+]1CCCCC1.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1- InChIKey
WHRDVHBIVRZSKQ-UHFFFAOYSA-N- Molecular formula
- C22H25N5O8
- Average molar mass
- 487.5 g/mol
- Monoisotopic mass
- 487.17031277
Names & identifiers
- Preferred name
- Carbostyril, 3,4-dihydro-1-(2-piperidinoethyl)-, picrate
- IUPAC
- 1-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydroquinolin-2-one;2,4,6-trinitrophenolate
Names & synonyms
95227-19-3CARBOSTYRIL, 3,4-DIHYDRO-1-(2-PIPERIDINOETHYL)-, PICRATE3,4-Dihydro-1-(2-piperidinoethyl)carbostyril picrateDTXSID60241790RefChem:333555DTXCID901642811-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydroquinolin-2-one;2,4,6-trinitrophenolate1-[2-(2-Oxo-3,4-dihydroquinolin-1(2H)-yl)ethyl]piperidin-1-ium 2,4,6-trinitrophenolate3,4-Dihydro-1-(2-piperidinoethyl)carbostyril picrate, CARBOSTYRIL, 3,4-DIHYDRO-1-(2-PIPERIDINOETHYL)-, PICRATE, AC1L1LVS, LS-52255, 1-(2-piperidin-1-ium-1-ylethyl)-3,4-dihydroquinolin-2-one; 2,4,6-trinitrophenolate, 95227-19-3
Database identifiers
- CAS
95227-19-3- PubChem CID
- 56882
- DTXSID
DTXSID60241790
Properties
Computed structural properties
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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