1-(4-chlorophenyl)-2-(dimethylaminomethyl)prop-2-en-1-one hydrate dihydrochloride

Systemtic Name: 1-(4-chlorophenyl)-2-(dimethylaminomethyl)prop-2-en-1-one hydrate dihydrochloride Openeye Name: 1-(4-chlorophenyl)-2-(dimethylaminomethyl)prop-2-en-1-one hydrate dihydrochloride CAS Name: 1-(4-chlorophenyl)-2-(dimethylaminomethyl)-2-propen-1-one hydrate dihydrochloride IUPAC Name: 1-(4-chlorophenyl)-2-(dimethylaminomethyl)prop-2-en-1-one hydrate dihydrochloride Traditional Name: 1-(4-chlorophenyl)-2-(dimethylaminomethyl)prop-2-en-1-one hydrate dihydrochloride Formula: C24H32Cl4N2O3 MolecularWeight: 538.33448

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(=C)C(=O)C1=CC=C(C=C1)Cl.CN(C)CC(=C)C(=O)C1=CC=C(C=C1)Cl.O.Cl.Cl

Isomeric SMILES

CN(C)CC(=C)C(=O)C1=CC=C(C=C1)Cl.CN(C)CC(=C)C(=O)C1=CC=C(C=C1)Cl.O.Cl.Cl

InChI

InChI=1S/2C12H14ClNO.2ClH.H2O/c2*1-9(8-14(2)3)12(15)10-4-6-11(13)7-5-10;;;/h2*4-7H,1,8H2,2-3H3;2*1H;1H2