Basic information
- Standard SMILES
CCN1C(=CC=CC=Cc2cc[n+](CCCCCC(=O)O)c3ccccc23)C(C)(C)c2cc(P(=O)(O)O)ccc21.[Cl-]- InChIKey
BASIZKBMMUNXSN-UHFFFAOYSA-N- Molecular formula
- C32H38ClN2O5P
- Average molar mass
- 597.1 g/mol
- Monoisotopic mass
- 596.220687
Names & identifiers
- Preferred name
- 1-(5-Carboxy-pentyl)-4-[5-(1-ethyl-3,3-dimethyl-5-phosphono-1,3-dihydro-indol-2-ylidene)-penta-1,3-dienyl]-quinolinium chloride
- IUPAC
- 6-[4-[5-(1-ethyl-3,3-dimethyl-5-phosphonoindol-2-ylidene)penta-1,3-dienyl]quinolin-1-ium-1-yl]hexanoic acid chloride
Names & synonyms
SCHEMBL2057360BASIZKBMMUNXSN-UHFFFAOYSA-N1-(5-carboxy-pentyl)-4-[5-(1-ethyl-3,3-dimethyl-5-phosphono-1,3-dihydro-indol-2-ylidene)-penta-1,3-dienyl]-quinolinium chloride
Database identifiers
- PubChem CID
- 86610185
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
1 records
Compound notes
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