[3-(3,4-dimethylphenyl)-4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-butyl]azanium chloride

Systemtic Name: [3-(3,4-dimethylphenyl)-4-ethoxy-3-ethoxycarbonyl-4-oxidanylidene-butyl]azanium chloride Openeye Name: [3-(3,4-dimethylphenyl)-4-ethoxy-3-ethoxycarbonyl-4-oxo-butyl]ammonium chloride CAS Name: [3-(3,4-dimethylphenyl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl]ammonium chloride IUPAC Name: [3-(3,4-dimethylphenyl)-4-ethoxy-3-ethoxycarbonyl-4-oxobutyl]azanium chloride Traditional Name: [3-carbethoxy-3-(3,4-dimethylphenyl)-4-ethoxy-4-keto-butyl]ammonium chloride Formula: C17H26ClNO4 MolecularWeight: 343.84564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC[NH3+])(C1=CC(=C(C=C1)C)C)C(=O)OCC.[Cl-]

Isomeric SMILES

CCOC(=O)C(CC[NH3+])(C1=CC(=C(C=C1)C)C)C(=O)OCC.[Cl-]

InChI

InChI=1S/C17H25NO4.ClH/c1-5-21-15(19)17(9-10-18,16(20)22-6-2)14-8-7-12(3)13(4)11-14;/h7-8,11H,5-6,9-10,18H2,1-4H3;1H