Basic information
- CAS
73713-62-9- Standard SMILES
CCOC(=O)c1cc(OC)c(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC.CS(=O)(=O)[O-]- InChIKey
WOQUDWYDVQVMCM-UHFFFAOYSA-N- Molecular formula
- C25H32N2O10S
- Average molar mass
- 552.6 g/mol
- Monoisotopic mass
- 552.1777664
Names & identifiers
- Preferred name
- Benzoic acid, 2,5-dimethoxy-4-(4-piperonylpiperazin-1-yl-carbonyl)-, ethyl ester, methanesulfonate
- IUPAC
- ethyl 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2,5-dimethoxybenzoate;methanesulfonate
Names & synonyms
Benzoic acid, 2,5-dimethoxy-4-(4-piperonylpiperazin-1-yl-carbonyl)-, ethyl ester, methanesulfonate73713-62-9DTXSID30224015Ethyl 2,5-dimethoxy-4-(4-piperonylpiperazin-1-ylcarbonyl)benzoate methanesulfonateRefChem:326567DTXCID301465061-[(2H-1,3-Benzodioxol-5-yl)methyl]-4-[4-(ethoxycarbonyl)-2,5-dimethoxybenzoyl]piperazin-1-ium methanesulfonate
Database identifiers
- CAS
73713-62-9- PubChem CID
- 52262
- DTXSID
DTXSID30224015
Properties
Computed structural properties
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 748
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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