(1R,12R,19S)-12-ethyl-10-(methoxycarbonyl)-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2(7),3,5,9,13-pentaen-16-ium-16-olate
AlkaPlorer ID: AK570693
Synonym: None
IUPAC Name: methyl (1R,12R,19S)-12-ethyl-16-oxido-8-aza-16-azoniapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
Structure
SMILES: CC[C@]12C=CC[N+]3([O-])CC[C@]4(C(=C(C(=O)OC)C1)NC1=CC=CC=C14)[C@H]23
InChI: InChI=1S/C21H24N2O3/c1-3-20-9-6-11-23(25)12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)26-2/h4-9,19,22H,3,10-13H2,1-2H3/t19-,20-,21-,23?/m0/s1
InChIKey: XLDMKSYCCLIIPV-FYHRMECFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amsonia elliptica | Amsonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 352.434
TPSA？: 61.39
MolLogP？: 3.2338000000000013
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|