3-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-3,4-dihydroisochromen-1-one hydrochloride

Systemtic Name: 3-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-3,4-dihydroisochromen-1-one hydrochloride Openeye Name: 3-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-isochroman-1-one hydrochloride CAS Name: 3-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-one hydrochloride IUPAC Name: 3-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-3,4-dihydroisochromen-1-one hydrochloride Traditional Name: 3-[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]-7,8-dimethoxy-isochroman-1-one hydrochloride Formula: C22H26ClNO6 MolecularWeight: 435.89794

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC2=C(C=C1C3CC4=C(C(=C(C=C4)OC)OC)C(=O)O3)OCO2.Cl

Isomeric SMILES

CN(C)CCC1=CC2=C(C=C1C3CC4=C(C(=C(C=C4)OC)OC)C(=O)O3)OCO2.Cl

InChI

InChI=1S/C22H25NO6.ClH/c1-23(2)8-7-13-9-18-19(28-12-27-18)11-15(13)17-10-14-5-6-16(25-3)21(26-4)20(14)22(24)29-17;/h5-6,9,11,17H,7-8,10,12H2,1-4H3;1H