HIT ID: HIT212708866
Cas No: 147202-94-6
分子式: C17H21NO5S
分子量: 351.42
常用名: Arecaidine propargyl ester tosylate
常用名: Arecaidine propargyl ester tosylate
氢键受体数 (HBA): 2
氢键供体数 (HBD): 0
LogP: 0.8768857
IUPAC: 4-methylbenzene-1-sulfonic acid; prop-2-yn-1-yl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate
IUPAC: 4-methylbenzene-1-sulfonic acid; prop-2-yn-1-yl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate
SMILES: Cc1ccc(cc1)S(O)(=O)=O.CN1CCC=C(C1)C(=O)OCC#C |c:15|
SMILES: Cc1ccc(cc1)S(O)(=O)=O.CN1CCC=C(C1)C(=O)OCC#C |c:15|
InChI key: LYHWIOMAWPVTPI-UHFFFAOYSA-N
