(13Z,14S,16S,18R)-13-ethylidene-18-(hydroxymethyl)-11-methyl-1,11-diazapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6,8(17)-tetraen-11-ium
AlkaPlorer ID: AK319108
Synonym: None
IUPAC Name: [(13E,18R)-13-ethylidene-11-methyl-1-aza-11-azoniapentacyclo[12.3.1.02,7.08,17.011,16]octadeca-2,4,6,8(17)-tetraen-18-yl]methanol
Structure
SMILES: C/C=C1/C[N+]2(C)CCC3=C4C2CC1[C@H](CO)N4C1=CC=CC=C31
InChI: InChI=1S/C20H25N2O/c1-3-13-11-22(2)9-8-15-14-6-4-5-7-17(14)21-18(12-23)16(13)10-19(22)20(15)21/h3-7,16,18-19,23H,8-12H2,1-2H3/q+1/b13-3-/t16?,18-,19?,22?/m0/s1
InChIKey: HFLUPWJGJPYITM-BDGWCCHCSA-N
Reference
Quaternary indole alkaloids from the stem bark of Strychnos guianensis
PubChem CID: 5319313
LOTUS: LTS0078786
NPASS: NPC209726
Source
Properties Information
Molecule Weight: 309.433
TPSA？: 25.16
MolLogP？: 3.198300000000001
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 5
Activities Information
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