2-(2-diethylaminoethyl)-5-(2,3-dimethylphenyl)-3H-isoindol-1-one dihydrate dihydrochloride

Systemtic Name: 2-(2-diethylaminoethyl)-5-(2,3-dimethylphenyl)-3H-isoindol-1-one dihydrate dihydrochloride Openeye Name: 2-(2-diethylaminoethyl)-5-(2,3-dimethylphenyl)isoindolin-1-one dihydrate dihydrochloride CAS Name: 2-(2-diethylaminoethyl)-5-(2,3-dimethylphenyl)-3H-isoindol-1-one dihydrate dihydrochloride IUPAC Name: 2-(2-diethylaminoethyl)-5-(2,3-dimethylphenyl)-3H-isoindol-1-one dihydrate dihydrochloride Traditional Name: 2-(2-diethylaminoethyl)-5-(2,3-dimethylphenyl)isoindolin-1-one dihydrate dihydrochloride Formula: C22H34Cl2N2O3 MolecularWeight: 445.42296

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1CC2=C(C1=O)C=CC(=C2)C3=C(C(=CC=C3)C)C.O.O.Cl.Cl

Isomeric SMILES

CCN(CC)CCN1CC2=C(C1=O)C=CC(=C2)C3=C(C(=CC=C3)C)C.O.O.Cl.Cl

InChI

InChI=1S/C22H28N2O.2ClH.2H2O/c1-5-23(6-2)12-13-24-15-19-14-18(10-11-21(19)22(24)25)20-9-7-8-16(3)17(20)4;;;;/h7-11,14H,5-6,12-13,15H2,1-4H3;2*1H;2*1H2