Ketone, 4-methyl-1-piperazinyl 3-methyl-5,6-7-trimethoxy-2-benzofuranyl, hydrochloride
Basic information
- CAS
63446-00-4- Standard SMILES
COc1cc2c(C)c(C(=O)N3CC[NH+](C)CC3)oc2c(OC)c1OC.[Cl-]- InChIKey
STTDURKXFLQOTF-UHFFFAOYSA-N- Molecular formula
- C18H25ClN2O5
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.1451996
Names & identifiers
- Preferred name
- Ketone, 4-methyl-1-piperazinyl 3-methyl-5,6-7-trimethoxy-2-benzofuranyl, hydrochloride
- IUPAC
- (4-methylpiperazin-4-ium-1-yl)-(5,6,7-trimethoxy-3-methyl-1-benzofuran-2-yl)methanone chloride
Names & synonyms
63446-00-4Ketone, 4-methyl-1-piperazinyl 3-methyl-5,6-7-trimethoxy-2-benzofuranyl, hydrochlorideRefChem:10880161-(3-Methyl-5,6,7-trimethoxybenzofuran-2-yl)carbonyl-4-methylpiperazine hydrochloridePiperazine, 4-methyl-1-(3-methyl-5,6,7-trimethoxybenzofuran-2-yl)carbonyl-, hydrochloride
Database identifiers
- CAS
63446-00-4- PubChem CID
- 44497
Properties
Computed structural properties
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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