Name: 2-{3-[3-(3-hydroxypropyl)-1,1-dimethylbenzo[e]indol-2-ylidene]prop-1-en-1-yl}-3-{3-[(4-methoxyphenyl)diphenylmethoxy]propyl}-1,1-dimethylbenzo[e]indol-3-ium chloride
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT219476068
Cas No:212563-57-0
常用名:2-{3-[3-(3-hydroxypropyl)-1,1-dimethylbenzo[e]indol-2-ylidene]prop-1-en-1-yl}-3-{3-[(4-methoxyphenyl)diphenylmethoxy]propyl}-1,1-dimethylbenzo[e]indol-3-ium chloride
常用名:2-{3-[3-(3-hydroxypropyl)-1,1-dimethylbenzo[e]indol-2-ylidene]prop-1-en-1-yl}-3-{3-[(4-methoxyphenyl)diphenylmethoxy]propyl}-1,1-dimethylbenzo[e]indol-3-ium chloride
IUPAC:2-{3-[3-(3-hydroxypropyl)-1,1-dimethyl-1H,2H,3H-benzo[e]indol-2-ylidene]prop-1-en-1-yl}-3-{3-[(4-methoxyphenyl)diphenylmethoxy]propyl}-1,1-dimethyl-1H-benzo[e]indol-3-ium chloride
IUPAC:2-{3-[3-(3-hydroxypropyl)-1,1-dimethyl-1H,2H,3H-benzo[e]indol-2-ylidene]prop-1-en-1-yl}-3-{3-[(4-methoxyphenyl)diphenylmethoxy]propyl}-1,1-dimethyl-1H-benzo[e]indol-3-ium chloride
InChI key:ZQIQSZSCKFTIFC-UHFFFAOYSA-M

分子式:C57H57ClN2O3
分子量:853.54
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Cl-].COc1ccc(cc1)C(OCCC[N+]1=C(C=CC=C2N(CCCO)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21)(c1ccccc1)c1ccccc1
SMILES:[Cl-].COc1ccc(cc1)C(OCCC[N+]1=C(C=CC=C2N(CCCO)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21)(c1ccccc1)c1ccccc1

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