139255-45-1
3-(2-PIPERIDINO-THIEN-2-YL)-5-(2,5-DIHYDRO-4-METHYL-2-PIPERIDIN-1-YLIDENE-ONIUM-THIEN-5-YLIDENE)-1,2-DIOXO-CYCLOPENTEN-4-OLATE
Name3-(2-PIPERIDINO-THIEN-2-YL)-5-(2,5-DIHYDRO-4-METHYL-2-PIPERIDIN-1-YLIDENE-ONIUM-THIEN-5-YLIDENE)-1,2-DIOXO-CYCLOPENTEN-4-OLATE
pro_formulaC24 H26 N2 O3 S2
1Identification
【Name】
3-(2-PIPERIDINO-THIEN-2-YL)-5-(2,5-DIHYDRO-4-METHYL-2-PIPERIDIN-1-YLIDENE-ONIUM-THIEN-5-YLIDENE)-1,2-DIOXO-CYCLOPENTEN-4-OLATE
【CAS】
【MDL】
MFCD00799453
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C24 H26 N2 O3 S2
【pro_molWeight】
454.612
【Inchi】
InChI=1S/C24H26N2O3S2/c1-15-14-17(31-24(15)26-12-6-3-7-13-26)20-21(27)19(22(28)23(20)29)16-8-9-18(30-16)25-10-4-2-5-11-25/h8-9,14H,2-7,10-13H2,1H3
【InChIKey】
InChIKey=CRXOAYVZTDZYAO-UHFFFAOYSA-N
【SMILES】
CC1=C/C(=C/2\C(=C(C(=O)C2=O)c3ccc(s3)N4CCCCC4)[O-])/SC1=[N+]5CCCCC5
【MOL File】
3-(2-PIPERIDINO-THIE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-(2-PIPERIDINO-THIEN-2-YL)-5-(2,5-DIHYDRO-4-METHYL-2-PIPERIDIN-1-YLIDENE-ONIUM-THIEN-5-YLIDENE)-1,2-DIOXO-CYCLOPENTEN-4-OLATE.cml