[(E)-5-(4-chlorophenyl)-2,2-dimethyl-3-oxidanylidene-pent-4-enyl]-diethyl-azanium chloride

Systemtic Name: [(E)-5-(4-chlorophenyl)-2,2-dimethyl-3-oxidanylidene-pent-4-enyl]-diethyl-azanium chloride Openeye Name: [(E)-5-(4-chlorophenyl)-2,2-dimethyl-3-oxo-pent-4-enyl]-diethyl-ammonium chloride CAS Name: [(E)-5-(4-chlorophenyl)-2,2-dimethyl-3-oxopent-4-enyl]-diethylammonium chloride IUPAC Name: [(E)-5-(4-chlorophenyl)-2,2-dimethyl-3-oxopent-4-enyl]-diethylazanium chloride Traditional Name: [(E)-5-(4-chlorophenyl)-3-keto-2,2-dimethyl-pent-4-enyl]-diethyl-ammonium chloride Formula: C17H25Cl2NO MolecularWeight: 330.2925

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(C)(C)C(=O)C=CC1=CC=C(C=C1)Cl.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC(C)(C)C(=O)/C=C/C1=CC=C(C=C1)Cl.[Cl-]

InChI

InChI=1S/C17H24ClNO.ClH/c1-5-19(6-2)13-17(3,4)16(20)12-9-14-7-10-15(18)11-8-14;/h7-12H,5-6,13H2,1-4H3;1H/b12-9+;