1-[2,2-dimethyl-4-(3-oxidanylpyridin-4-yl)chromen-6-yl]ethanone hydrochloride

Systemtic Name: 1-[2,2-dimethyl-4-(3-oxidanylpyridin-4-yl)chromen-6-yl]ethanone hydrochloride Openeye Name: 1-[4-(3-hydroxy-4-pyridyl)-2,2-dimethyl-chromen-6-yl]ethanone hydrochloride CAS Name: 1-[4-(3-hydroxy-4-pyridinyl)-2,2-dimethyl-1-benzopyran-6-yl]ethanone hydrochloride IUPAC Name: 1-[4-(3-hydroxypyridin-4-yl)-2,2-dimethylchromen-6-yl]ethanone hydrochloride Traditional Name: 1-[4-(3-hydroxy-4-pyridyl)-2,2-dimethyl-chromen-6-yl]ethanone hydrochloride Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OC(C=C2C3=C(C=NC=C3)O)(C)C.Cl

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OC(C=C2C3=C(C=NC=C3)O)(C)C.Cl

InChI

InChI=1S/C18H17NO3.ClH/c1-11(20)12-4-5-17-14(8-12)15(9-18(2,3)22-17)13-6-7-19-10-16(13)21;/h4-10,21H,1-3H3;1H