2-azanylethyl-[(3-ethanoylphenyl)methyl]-dimethyl-azanium chloride hydrochloride

Systemtic Name: 2-azanylethyl-[(3-ethanoylphenyl)methyl]-dimethyl-azanium chloride hydrochloride Openeye Name: (3-acetylphenyl)methyl-(2-aminoethyl)-dimethyl-ammonium chloride hydrochloride CAS Name: (3-acetylphenyl)methyl-(2-aminoethyl)-dimethylammonium chloride hydrochloride IUPAC Name: (3-acetylphenyl)methyl-(2-aminoethyl)-dimethylazanium chloride hydrochloride Traditional Name: (3-acetylbenzyl)-(2-aminoethyl)-dimethyl-ammonium chloride hydrochloride Formula: C13H22Cl2N2O MolecularWeight: 293.23258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[N+](C)(C)CCN.Cl.[Cl-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[N+](C)(C)CCN.Cl.[Cl-]

InChI

InChI=1S/C13H21N2O.2ClH/c1-11(16)13-6-4-5-12(9-13)10-15(2,3)8-7-14;;/h4-6,9H,7-8,10,14H2,1-3H3;2*1H/q+1;;/p-1