3-(3-chlorophenyl)carbonyloxypropyl-dimethyl-azanium chloride

Systemtic Name: 3-(3-chlorophenyl)carbonyloxypropyl-dimethyl-azanium chloride Openeye Name: 3-(3-chlorobenzoyl)oxypropyl-dimethyl-ammonium chloride CAS Name: 3-[(3-chlorophenyl)-oxomethoxy]propyl-dimethylammonium chloride IUPAC Name: 3-(3-chlorobenzoyl)oxypropyl-dimethylazanium chloride Traditional Name: 3-(3-chlorobenzoyl)oxypropyl-dimethyl-ammonium chloride Formula: C12H17Cl2NO2 MolecularWeight: 278.17488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO2.ClH/c1-14(2)7-4-8-16-12(15)10-5-3-6-11(13)9-10;/h3,5-6,9H,4,7-8H2,1-2H3;1H