HIT ID: HIT217583623
Cas No: 86621-94-5
分子式: C22H27ClN2O6S
分子量: 482.98
常用名: BM 15766 sulfate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-(2-{4-[3-(4-chlorophenyl)prop-2-en-1-yl]piperazin-1-yl}ethyl)benzoic acid; sulfuric acid
IUPAC: 4-(2-{4-[3-(4-chlorophenyl)prop-2-en-1-yl]piperazin-1-yl}ethyl)benzoic acid; sulfuric acid
SMILES: OS(O)(=O)=O.OC(=O)c1ccc(CCN2CCN(CC=Cc3ccc(Cl)cc3)CC2)cc1
SMILES: OS(O)(=O)=O.OC(=O)c1ccc(CCN2CCN(CC=Cc3ccc(Cl)cc3)CC2)cc1
InChI key: OVMQIVIYKXXEIT-UHFFFAOYSA-N