934349-13-0
ISOQUINOLINE-5-SULFONIC ACID-N-METHYL-(PIPERIDIN-4-YL)-AMIDE DIHYDROCHLORIDE
NameISOQUINOLINE-5-SULFONIC ACID-N-METHYL-(PIPERIDIN-4-YL)-AMIDE DIHYDROCHLORIDE
pro_formulaC15 H19 N3 O2 S . 2 Cl H
1Identification
【Name】
ISOQUINOLINE-5-SULFONIC ACID-N-METHYL-(PIPERIDIN-4-YL)-AMIDE DIHYDROCHLORIDE
【CAS】
【MDL】
MFCD09834606
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C15 H19 N3 O2 S . 2 Cl H
【pro_molWeight】
378.322
【Inchi】
InChI=1S/C15H19N3O2S.2ClH/c1-18(13-5-8-16-9-6-13)21(19,20)15-4-2-3-12-11-17-10-7-14(12)15;;/h2-4,7,10-11,13,16H,5-6,8-9H2,1H3;2*1H
【InChIKey】
InChIKey=RKQAIHDEHZSCLZ-UHFFFAOYSA-N
【SMILES】
CN(C1CCNCC1)S(=O)(=O)c2cccc3c2ccnc3.Cl.Cl
【MOL File】
ISOQUINOLINE-5-SULFO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ISOQUINOLINE-5-SULFONIC ACID-N-METHYL-(PIPERIDIN-4-YL)-AMIDE DIHYDROCHLORIDE.cml