53892-20-9
1-METHYL-4-[PHENYL(THIEN-2-YLMETHYL)AMMONIO]PIPERIDINIUM MALEATE
Name1-METHYL-4-[PHENYL(THIEN-2-YLMETHYL)AMMONIO]PIPERIDINIUM MALEATE
FormulaC17 H22 N2 S . C4 H4 O4
1Identification
【Name】
1-METHYL-4-[PHENYL(THIEN-2-YLMETHYL)AMMONIO]PIPERIDINIUM MALEATE
【CAS】
【MDL】
MFCD21609211
【English Synonyms】
【Formula】
C17 H22 N2 S . C4 H4 O4
【MolWeight】
402.512
【Inchi】
InChI=1S/C17H22N2S.C4H4O4/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15;5-3(6)1-2-4(7)8/h2-8,13,16H,9-12,14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
【InChIKey】
InChIKey=OYCQNZCKQWGYBZ-BTJKTKAUSA-N
【SMILES】
CN1CCC(CC1)N(Cc2cccs2)c3ccccc3.C(=C\C(=O)O)\C(=O)O
【MOL File】
1-METHYL-4-[PHENYL(T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-4-[PHENYL(THIEN-2-YLMETHYL)AMMONIO]PIPERIDINIUM MALEATE.cml