(3E)-3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-isoindol-1-one hydrochloride

Systemtic Name: (3E)-3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-isoindol-1-one hydrochloride Openeye Name: (3E)-3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylene]-6,7-dimethoxy-isoindolin-1-one hydrochloride CAS Name: (3E)-3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-1-isoindolone hydrochloride IUPAC Name: (3E)-3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one hydrochloride Traditional Name: (3E)-3-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylene]-6,7-dimethoxy-isoindolin-1-one hydrochloride Formula: C22H25ClN2O5 MolecularWeight: 432.8973

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC2=C(C=C1C=C3C4=C(C(=C(C=C4)OC)OC)C(=O)N3)OCO2.Cl

Isomeric SMILES

CN(C)CCC1=CC2=C(C=C1/C=C/3\C4=C(C(=C(C=C4)OC)OC)C(=O)N3)OCO2.Cl

InChI

InChI=1S/C22H24N2O5.ClH/c1-24(2)8-7-13-10-18-19(29-12-28-18)11-14(13)9-16-15-5-6-17(26-3)21(27-4)20(15)22(25)23-16;/h5-6,9-11H,7-8,12H2,1-4H3,(H,23,25);1H/b16-9+;