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