dimethyl(3-phenylpropanoyl)azanium chloride hydrate

Systemtic Name: dimethyl(3-phenylpropanoyl)azanium chloride hydrate Openeye Name: dimethyl(3-phenylpropanoyl)ammonium chloride hydrate CAS Name: dimethyl-(1-oxo-3-phenylpropyl)ammonium chloride hydrate IUPAC Name: dimethyl(3-phenylpropanoyl)azanium chloride hydrate Traditional Name: hydrocinnamoyl(dimethyl)ammonium chloride hydrate Formula: C11H18ClNO2 MolecularWeight: 231.71912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(=O)CCC1=CC=CC=C1.O.[Cl-]

Isomeric SMILES

C[NH+](C)C(=O)CCC1=CC=CC=C1.O.[Cl-]

InChI

InChI=1S/C11H15NO.ClH.H2O/c1-12(2)11(13)9-8-10-6-4-3-5-7-10;;/h3-7H,8-9H2,1-2H3;1H;1H2