Imipramine Blue chloride
HIT219137008
sdf文件结构编辑类似物检索
HIT ID: HIT219137008
Cas No:
分子式: C40H51ClN4
分子量: 623.33
常用名: Imipramine Blue chloride
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 13-{bis[4-(diethylamino)phenyl]methylidene}-2-[3-(dimethylamino)propyl]-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1,3,5,7,11,14-hexaen-2-ium chloride
IUPAC: 13-{bis[4-(diethylamino)phenyl]methylidene}-2-[3-(dimethylamino)propyl]-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1,3,5,7,11,14-hexaen-2-ium chloride
SMILES: [Cl-].CCN(CC)c1ccc(cc1)C(c1ccc(cc1)N(CC)CC)=c1ccc2=[N+](CCCN(C)C)c3ccccc3CCc2c1
SMILES: [Cl-].CCN(CC)c1ccc(cc1)C(c1ccc(cc1)N(CC)CC)=c1ccc2=[N+](CCCN(C)C)c3ccccc3CCc2c1
InChI key: GQLKOMNQMYFCRN-UHFFFAOYSA-M
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