Ptefolonium chloride
Basic information
- CAS
55870-02-5- Standard SMILES
C=C(C)C1Cc2c(OC)c3cc(OC)cc(OC)c3[n+](C)c2O1.[Cl-]- InChIKey
RNYVJSAWSAZBBN-UHFFFAOYSA-M- Molecular formula
- C18H22ClNO4
- Average molar mass
- 351.8 g/mol
- Monoisotopic mass
- 351.1237359
Names & identifiers
- Preferred name
- Ptefolonium chloride
- IUPAC
- 4,6,8-trimethoxy-9-methyl-2-prop-1-en-2-yl-2,3-dihydrofuro[2,3-b]quinolin-9-ium chloride
Names & synonyms
Ptefolonium chloride55870-02-52,3-Dihydro-4,6,8-trimethoxy-9-methyl-2-(1-methylethenyl)furo(2,3-b)quinolinium chlorideFuro(2,3-b)quinolinium, 2,3-dihydro-4,6,8,-trimethoxy-9-methyl-2-(1-methylethenyl)-, chlorideRefChem:375792DTXSID609712674,6,8-Trimethoxy-9-methyl-2-(prop-1-en-2-yl)-3,9-dihydro-2H-furo[2,3-b]quinolin-1-ium chloride
Database identifiers
- CAS
55870-02-5- PubChem CID
- 148758
- DTXSID
DTXSID60971267
Properties
Computed structural properties
- Topological polar surface area
- 40.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 443
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Compound notes
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