Pyridinium bisretinoid A2E
HIT217586632
sdf文件结构编辑类似物检索
HIT ID: HIT217586632
Cas No: 173449-96-2
分子式: C42H58NO
分子量: 592.931
常用名: Pyridinium bisretinoid A2E
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-1,3,5,7-tetraen-1-yl]-1-(2-hydroxyethyl)-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl]pyridin-1-ium
IUPAC: 2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-1,3,5,7-tetraen-1-yl]-1-(2-hydroxyethyl)-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl]pyridin-1-ium
SMILES: C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/c1cc(\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)cc[n+]1CCO
SMILES: C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/c1cc(\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)cc[n+]1CCO
InChI key: WPWFMRDPTDEJJA-FAXVYDRBSA-N
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