1-Methyl-3,5-diphenyl-2-(prop-2-en-1-yl)-4-propoxy-2,3-dihydro-1H-pyrazol-1-ium methyl sulfate
Basic information
- CAS
60614-86-0- Standard SMILES
C=CCN1C(c2ccccc2)C(OCCC)=C(c2ccccc2)[NH+]1C.COS(=O)(=O)[O-]- InChIKey
IHVFSHFSKDLPMH-UHFFFAOYSA-N- Molecular formula
- C23H30N2O5S
- Average molar mass
- 446.6 g/mol
- Monoisotopic mass
- 446.18754324
Names & identifiers
- Preferred name
- 1-Methyl-3,5-diphenyl-2-(prop-2-en-1-yl)-4-propoxy-2,3-dihydro-1H-pyrazol-1-ium methyl sulfate
- IUPAC
- 1-methyl-3,5-diphenyl-2-prop-2-enyl-4-propoxy-1,3-dihydropyrazol-1-ium;methyl sulfate
Names & synonyms
60614-86-0DTXSID508218481-Methyl-3,5-diphenyl-2-(prop-2-en-1-yl)-4-propoxy-2,3-dihydro-1H-pyrazol-1-ium methyl sulfate
Database identifiers
- CAS
60614-86-0- PubChem CID
- 71400580
- DTXSID
DTXSID50821848
Properties
Computed structural properties
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 551
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Related reactions
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Compound notes
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