3-Tigloyloxytropane; 3α-form, N-Oxide
AlkaPlorer ID: AK316089
Synonym: 3α-Tigloyloxytropane N-oxide
IUPAC Name: (8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(\C)C(=O)OC1CC2CCC(C1)[N+]2(C)[O-]
InChI: InChI=1S/C13H21NO3/c1-4-9(2)13(15)17-12-7-10-5-6-11(8-12)14(10,3)16/h4,10-12H,5-8H2,1-3H3/b9-4+
InChIKey: VNARLHBYSZUQEN-RUDMXATFSA-N
Reference
PubChem CID: 131751426
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Alkekengi | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 239.315
TPSA？: 49.36
MolLogP？: 2.1336000000000004
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|