936250-34-9
ISOQUINOLINE-5-SULFONIC ACID PIPERIDIN-4-YLAMIDE DIHYDROCHLORIDE
NameISOQUINOLINE-5-SULFONIC ACID PIPERIDIN-4-YLAMIDE DIHYDROCHLORIDE
pro_formulaC14 H17 N3 O2 S . 2 Cl H
1Identification
【Name】
ISOQUINOLINE-5-SULFONIC ACID PIPERIDIN-4-YLAMIDE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD09834599
【EnglishSynonyms】
【pro_formula】
C14 H17 N3 O2 S . 2 Cl H
【pro_molWeight】
364.295
【Inchi】
InChI=1S/C14H17N3O2S.2ClH/c18-20(19,17-12-4-7-15-8-5-12)14-3-1-2-11-10-16-9-6-13(11)14;;/h1-3,6,9-10,12,15,17H,4-5,7-8H2;2*1H
【InChIKey】
InChIKey=MAHWURKVWMOAAY-UHFFFAOYSA-N
【SMILES】
c1cc2cnccc2c(c1)S(=O)(=O)NC3CCNCC3.Cl.Cl
【MOL File】
ISOQUINOLINE-5-SULFO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ISOQUINOLINE-5-SULFONIC ACID PIPERIDIN-4-YLAMIDE DIHYDROCHLORIDE.cml