Bisdequalinium diacetate
HIT214318309
sdf文件结构编辑类似物检索
HIT ID: HIT214318309
Cas No: 3785-44-2
分子式: C42H61N4O2
分子量: 653.975
常用名: Bisdequalinium diacetate
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 39,42-dimethyl-1lambda5,12lambda5,20,31-tetraazapentacyclo[30.6.2.2^{12,19}.0^{13,18}.0^{33,38}]dotetraconta-1(38),12,14,16,18,32,34,36,39,41-decaene-1,12-bis(ylium) acetate
IUPAC: 39,42-dimethyl-1lambda5,12lambda5,20,31-tetraazapentacyclo[30.6.2.2^{12,19}.0^{13,18}.0^{33,38}]dotetraconta-1(38),12,14,16,18,32,34,36,39,41-decaene-1,12-bis(ylium) acetate
SMILES: CC([O-])=O.Cc1cc2NCCCCCCCCCCNc3cc(C)[n+](CCCCCCCCCC[n+]1c1ccccc21)c1ccccc31
SMILES: CC([O-])=O.Cc1cc2NCCCCCCCCCCNc3cc(C)[n+](CCCCCCCCCC[n+]1c1ccccc21)c1ccccc31
InChI key: RZJAQXAKVLHYEE-ACDHFWJGSA-O
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