(1r,4s)-1-(cyclooct-1-en-1-ylmethyl)-4-(2,7-dichloro-9H-xanthene-9-amido)-1-ethylpiperidin-1-ium iodide, trans-J-113863
HIT218832984
sdf文件结构编辑类似物检索
HIT ID: HIT218832984
Cas No:
分子式: C30H37Cl2IN2O2
分子量: 655.44
常用名: (1r,4s)-1-(cyclooct-1-en-1-ylmethyl)-4-(2,7-dichloro-9H-xanthene-9-amido)-1-ethylpiperidin-1-ium iodide, trans-J-113863
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1r,4s)-1-[(cyclooct-1-en-1-yl)methyl]-4-(2,7-dichloro-9H-xanthene-9-amido)-1-ethylpiperidin-1-ium iodide
SMILES: [I-].CC[N@+]1(CC2=CCCCCCC2)CC[C@@H](CC1)NC(=O)C1c2cc(Cl)ccc2Oc2ccc(Cl)cc12
InChI key: FOAFBMYSXIGAOX-KPAYBJLXSA-N
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