3-[(3-chlorophenyl)carbonylamino]propyl-dimethyl-azanium chloride

Systemtic Name: 3-[(3-chlorophenyl)carbonylamino]propyl-dimethyl-azanium chloride Openeye Name: 3-[(3-chlorobenzoyl)amino]propyl-dimethyl-ammonium chloride CAS Name: 3-[[(3-chlorophenyl)-oxomethyl]amino]propyl-dimethylammonium chloride IUPAC Name: 3-[(3-chlorobenzoyl)amino]propyl-dimethylazanium chloride Traditional Name: 3-[(3-chlorobenzoyl)amino]propyl-dimethyl-ammonium chloride Formula: C12H18Cl2N2O MolecularWeight: 277.19012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN2O.ClH/c1-15(2)8-4-7-14-12(16)10-5-3-6-11(13)9-10;/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,16);1H