Basic information
- CAS
100333-38-8- Standard SMILES
CCCCNc1ccc(C(=O)OC2CC[NH+](C)CC2)cc1.CS(=O)(=O)[O-]- InChIKey
SZFBJQXDGJKNEW-UHFFFAOYSA-N- Molecular formula
- C18H30N2O5S
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.18754324
Names & identifiers
- Preferred name
- Paridocaine methanesulfonate
- IUPAC
- methanesulfonate;(1-methylpiperidin-1-ium-4-yl) 4-(butylamino)benzoate
Names & synonyms
Paridocaine methanesulfonate100333-38-81-Methyl-4-piperidyl 4-butylaminobenzoate methanesulfonate4-Butylaminobenzoic acid 1-methyl-4-piperidyl ester methanesulfonateDTXSID50143173BENZOIC ACID, p-BUTYLAMINO-, 1-METHYL-4-PIPERIDYL ESTER, METHANESULFONATERefChem:367866DTXCID80656644-{[4-(Butylamino)benzoyl]oxy}-1-methylpiperidin-1-ium methanesulfonate
Database identifiers
- CAS
100333-38-8- PubChem CID
- 57784
- DTXSID
DTXSID50143173
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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