2-(3,4-dibutoxyphenyl)carbonyloxyethyl-diethyl-azanium chloride

Systemtic Name: 2-(3,4-dibutoxyphenyl)carbonyloxyethyl-diethyl-azanium chloride Openeye Name: 2-(3,4-dibutoxybenzoyl)oxyethyl-diethyl-ammonium chloride CAS Name: 2-[(3,4-dibutoxyphenyl)-oxomethoxy]ethyl-diethylammonium chloride IUPAC Name: 2-(3,4-dibutoxybenzoyl)oxyethyl-diethylazanium chloride Traditional Name: 2-(3,4-dibutoxybenzoyl)oxyethyl-diethyl-ammonium chloride Formula: C21H36ClNO4 MolecularWeight: 401.96784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC[NH+](CC)CC)OCCCC.[Cl-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC[NH+](CC)CC)OCCCC.[Cl-]

InChI

InChI=1S/C21H35NO4.ClH/c1-5-9-14-24-19-12-11-18(17-20(19)25-15-10-6-2)21(23)26-16-13-22(7-3)8-4;/h11-12,17H,5-10,13-16H2,1-4H3;1H