乙基-[3-[4-[乙基(二甲基)铵基]丁基-(2-羟基六癸基)-甲基铵基]丙基]-二甲基铵;乙基硫酸盐

乙基-[3-[4-[乙基(二甲基)铵基]丁基-(2-羟基六癸基)-甲基铵基]丙基]-二甲基铵;乙基硫酸盐

ethyl-[3-[4-[ethyl(dimethyl)azaniumyl]butyl-(2-hydroxyhexadecyl)-methylazaniumyl]propyl]-dimethylazanium;ethyl sulfate

又称：2,3,4,5-tetrahydro-1,4-benzothiazepin-3-one, ethyl-[3-[4-[ethyl(dimethyl)azaniumyl]butyl-(2-hydroxyhexadecyl)-methylazaniumyl]propyl]-dimethylazanium;ethyl sulfate, 1,3-Propanediaminium, N1,N3-diethyl-N1-(3-(ethyldimethylammonio)propyl)-N1-(2-hydroxyhexadecyl)-N3,N3-dimethyl-, ethyl sulfate (1:3), 1,3-Propanediaminium, N1,N3-diethyl-N1-[3-(ethyldimethylammonio)propyl]-N1-(2-hydroxyhexadecyl)-N3,N3-dimethyl-, ethyl sulfate (1:3), 1,3-Propanediaminium, N,N'-diethyl-N-(3-(ethyldimethylammonio)propyl)-N-(2-hydroxyhexadecyl)-N',N'-dimethyl-, tris(ethyl sulfate) (salt)

分子式	C38H87N3O13S3
分子量	889.54 g/mol
LogP	5.6973
拓扑极性表面积	245.0 Ų
氢键供体数	1
氢键受体数	13
可旋转键数	29
精确质量	889.5401
重原子数	57
复杂度	598.0

化学标识符

CAS 编号	103694-63-9
SMILES	CCCCCCCCCCCCCCC(C[N+](C)(CCCC[N+](C)(C)CC)CCC[N+](C)(C)CC)O.CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-]
InChIKey	JZTVHFRSYIDPPG-UHFFFAOYSA-K