4-benzoyl-1-[2-(4-ethoxy-3-nitrophenyl)-2-oxoethyl]pyridin-1-ium
AlkaPlorer ID: AK560056
Synonym: None
IUPAC Name: 2-(4-benzoylpyridin-1-ium-1-yl)-1-(4-ethoxy-3-nitrophenyl)ethanone
Structure
SMILES: CCOC1=CC=C(C(=O)C[N+]2=CC=C(C(=O)C3=CC=CC=C3)C=C2)C=C1[N+](=O)[O-]
InChI: InChI=1S/C22H19N2O5/c1-2-29-21-9-8-18(14-19(21)24(27)28)20(25)15-23-12-10-17(11-13-23)22(26)16-6-4-3-5-7-16/h3-14H,2,15H2,1H3/q+1
InChIKey: WLWTWMHYGILLIS-UHFFFAOYSA-N
Reference
Alkaloids of South African samples of Calpurnia aurea subsp. Sylvatica
SuperNatural Ⅲ: SN0413799
Source
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Properties Information
Molecule Weight: 391.4030000000001
TPSA？: 90.39
MolLogP？: 3.3949000000000025
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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