oxitropium

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 3
PubChem 6917866
Molecular Formula

C19H26NO4+

SMILES

CC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C

InChI

InChI=1S/C19H26NO4/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12/h4-8,13-18,21H,3,9-11H2,1-2H3/q+1/t13?,14-,15-,16+,17-,18+,20?/m1/s1

synonyms
  • Oxitropium
  • 99571-64-9
  • UNII-8G15T83E6I
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Properties
Property Value
MW 332.4 g/mol
HBD 1
HBA 4
Rotatable Bond Count 6
Exact Mass 332.18618331 g/mol
Monoisotopic Mass 332.18618331 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 472
xlogp 1.7
Topological Polar Surface Area 59.1