5-[(2-diethylaminoethylamino)methyl]-2,2-dimethyl-pyrano[3,2-b]xanthen-6-one hydrochloride

Systemtic Name: 5-[(2-diethylaminoethylamino)methyl]-2,2-dimethyl-pyrano[3,2-b]xanthen-6-one hydrochloride Openeye Name: 5-[(2-diethylaminoethylamino)methyl]-2,2-dimethyl-pyrano[3,2-b]xanthen-6-one hydrochloride CAS Name: 5-[(2-diethylaminoethylamino)methyl]-2,2-dimethyl-6-pyrano[3,2-b]xanthenone hydrochloride IUPAC Name: 5-[(2-diethylaminoethylamino)methyl]-2,2-dimethylpyrano[3,2-b]xanthen-6-one hydrochloride Traditional Name: 5-[(2-diethylaminoethylamino)methyl]-2,2-dimethyl-pyrano[3,2-b]xanthen-6-one hydrochloride Formula: C25H31ClN2O3 MolecularWeight: 442.97824

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNCC1=C2C(=CC3=C1C=CC(O3)(C)C)OC4=CC=CC=C4C2=O.Cl

Isomeric SMILES

CCN(CC)CCNCC1=C2C(=CC3=C1C=CC(O3)(C)C)OC4=CC=CC=C4C2=O.Cl

InChI

InChI=1S/C25H30N2O3.ClH/c1-5-27(6-2)14-13-26-16-19-17-11-12-25(3,4)30-21(17)15-22-23(19)24(28)18-9-7-8-10-20(18)29-22;/h7-12,15,26H,5-6,13-14,16H2,1-4H3;1H