HIT ID: HIT219136762
Cas No: 476494-44-7
分子式: C36H45Cl2IN2O2
分子量: 735.57
常用名: YM-49598 iodide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-{2-[3-(3,4-dichlorophenyl)-1-{2-[3-(propan-2-yloxy)phenyl]acetyl}piperidin-3-yl]ethyl}-1-methyl-4-phenylpiperidin-1-ium iodide
IUPAC: 1-{2-[3-(3,4-dichlorophenyl)-1-{2-[3-(propan-2-yloxy)phenyl]acetyl}piperidin-3-yl]ethyl}-1-methyl-4-phenylpiperidin-1-ium iodide
SMILES: [I-].CC(C)Oc1cccc(CC(=O)N2CCCC(CC[N+]3(C)CCC(CC3)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c1
SMILES: [I-].CC(C)Oc1cccc(CC(=O)N2CCCC(CC[N+]3(C)CCC(CC3)c3ccccc3)(C2)c2ccc(Cl)c(Cl)c2)c1
InChI key: SJZYORJFBZTFPS-UHFFFAOYSA-M
