Cyanine3 alkyne
HIT219476053
sdf文件结构编辑类似物检索
HIT ID: HIT219476053
Cas No:
分子式: C33H40N3O
分子量: 494.702
常用名: Cyanine3 alkyne
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-[3-(3,3-dimethyl-1-{5-[(prop-2-yn-1-yl)carbamoyl]pentyl}-2,3-dihydro-1H-indol-2-ylidene)prop-1-en-1-yl]-1,3,3-trimethyl-3H-indol-1-ium
IUPAC: 2-[3-(3,3-dimethyl-1-{5-[(prop-2-yn-1-yl)carbamoyl]pentyl}-2,3-dihydro-1H-indol-2-ylidene)prop-1-en-1-yl]-1,3,3-trimethyl-3H-indol-1-ium
SMILES: C[N+]1=C(C=CC=C2N(CCCCCC(=O)NCC#C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
SMILES: C[N+]1=C(C=CC=C2N(CCCCCC(=O)NCC#C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12
InChI key: ZAEMCWBMKGHPLO-UHFFFAOYSA-O
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