3,4-dimethyl-7-oxidanyl-8-[(pyridin-4-ylmethylamino)methyl]chromen-2-one dihydrochloride

Systemtic Name: 3,4-dimethyl-7-oxidanyl-8-[(pyridin-4-ylmethylamino)methyl]chromen-2-one dihydrochloride Openeye Name: 7-hydroxy-3,4-dimethyl-8-[(4-pyridylmethylamino)methyl]chromen-2-one dihydrochloride CAS Name: 7-hydroxy-3,4-dimethyl-8-[(pyridin-4-ylmethylamino)methyl]-1-benzopyran-2-one dihydrochloride IUPAC Name: 7-hydroxy-3,4-dimethyl-8-[(pyridin-4-ylmethylamino)methyl]chromen-2-one dihydrochloride Traditional Name: 7-hydroxy-3,4-dimethyl-8-[(4-pyridylmethylamino)methyl]coumarin dihydrochloride Formula: C18H20Cl2N2O3 MolecularWeight: 383.269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CNCC3=CC=NC=C3)O)C.Cl.Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CNCC3=CC=NC=C3)O)C.Cl.Cl

InChI

InChI=1S/C18H18N2O3.2ClH/c1-11-12(2)18(22)23-17-14(11)3-4-16(21)15(17)10-20-9-13-5-7-19-8-6-13;;/h3-8,20-21H,9-10H2,1-2H3;2*1H