pentapiperium metilsulphate Report issue

Small molecule Experimental
ChEMBL Drug Central KEGG PubChem

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Chemistry

Mol. Mass

304.45

ALogP

3.6

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCC(C)C(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1
  • InChIKey: WSWDKMFWJOALEW-UHFFFAOYSA-N
    InChI=1S/C19H30NO2/c1-5-15(2)18(16-9-7-6-8-10-16)19(21)22-17-11-13-20(3,4)14-12-17/h6-10,15,17-18H,5,11-14H2,1-4H3/q+1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2111014   ChEMBL
pentapiperium *

CHEMBL2107046   ChEMBL
pentapiperium methylsulfate

E550Z24M3I   NCATS
pentapiperium *

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