15589-21-6
1-(2-((3,4-DIHYDRO-4-OXO-3-PHENYL-2-QUINAZOLINYL)THIO)ETHYL)-1-METHYLPIPERIDINIUM IODIDE
Name1-(2-((3,4-DIHYDRO-4-OXO-3-PHENYL-2-QUINAZOLINYL)THIO)ETHYL)-1-METHYLPIPERIDINIUM IODIDE
FormulaC22 H26 N3 O S . I
1Identification
【Name】
1-(2-((3,4-DIHYDRO-4-OXO-3-PHENYL-2-QUINAZOLINYL)THIO)ETHYL)-1-METHYLPIPERIDINIUM IODIDE
【CAS】
【MDL】
MFCD01699895
【English Synonyms】
【Formula】
C22 H26 N3 O S . I
【MolWeight】
507.433
【Inchi】
InChI=1S/C22H26N3OS.HI/c1-25(14-8-3-9-15-25)16-17-27-22-23-20-13-7-6-12-19(20)21(26)24(22)18-10-4-2-5-11-18;/h2,4-7,10-13H,3,8-9,14-17H2,1H3;1H/q+1;/p-1
【InChIKey】
InChIKey=MUEKTZSRPHAHTB-UHFFFAOYSA-M
【SMILES】
C[N+]1(CCCCC1)CCSc2nc3ccccc3c(=O)n2c4ccccc4.[I-]
【MOL File】
1-(2-((3,4-DIHYDRO-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-((3,4-DIHYDRO-4-OXO-3-PHENYL-2-QUINAZOLINYL)THIO)ETHYL)-1-METHYLPIPERIDINIUM IODIDE.cml