Basic information
- CAS
102585-51-3- Standard SMILES
C[N+]1(C)CCN(C(COC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)CC1.[Br-]- InChIKey
IIMUZQLNNNKPTR-UHFFFAOYSA-M- Molecular formula
- C28H33BrN2O2
- Average molar mass
- 509.5 g/mol
- Monoisotopic mass
- 508.17254
Names & identifiers
- Preferred name
- Acetic acid, diphenyl-, beta-(4-methyl-1-piperazinyl)phenethyl ester, methobromide
- IUPAC
- [2-(4,4-dimethylpiperazin-4-ium-1-yl)-2-phenylethyl] 2,2-diphenylacetate bromide
- English name
- Acetic acid, diphenyl-, beta-(4-methyl-1-piperazinyl)phenethyl ester, methobromide
- Molecular formula
- C27H30N2O2.CH3Br
- Molecular weight
- 509.48
Names & synonyms
FC 644/A102585-51-3Acetic acid, diphenyl-, beta-(4-methyl-1-piperazinyl)phenethyl ester, methobromideRefChem:3166234-{2-[(diphenylacetyl)oxy]-1-phenylethyl}-1,1-dimethylpiperazin-1-ium bromideDTXSID40907862[2-(4,4-dimethylpiperazin-4-ium-1-yl)-2-phenylethyl] 2,2-diphenylacetate;bromideAcetic acid, diphenyl-, beta-(4-methyl-1-piperazinyl)phenethyl ester, methobromide
Database identifiers
- CAS
102585-51-3- PubChem CID
- 59604
- DTXSID
DTXSID40907862
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 546
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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