(2S)-1-(3-methylimidazol-3-ium-1-yl)-2-phenyl-propan-1-one chloride

Systemtic Name: (2S)-1-(3-methylimidazol-3-ium-1-yl)-2-phenyl-propan-1-one chloride Openeye Name: (2S)-1-(3-methylimidazol-3-ium-1-yl)-2-phenyl-propan-1-one chloride CAS Name: (2S)-1-(3-methyl-1-imidazol-3-iumyl)-2-phenyl-1-propanone chloride IUPAC Name: (2S)-1-(3-methylimidazol-3-ium-1-yl)-2-phenylpropan-1-one chloride Traditional Name: (2S)-1-(3-methylimidazol-3-ium-1-yl)-2-phenyl-propan-1-one chloride Formula: C13H15ClN2O MolecularWeight: 250.724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)N2C=C[N+](=C2)C.[Cl-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)C(=O)N2C=C[N+](=C2)C.[Cl-]

InChI

InChI=1S/C13H15N2O.ClH/c1-11(12-6-4-3-5-7-12)13(16)15-9-8-14(2)10-15;/h3-11H,1-2H3;1H/q+1;/p-1/t11-;/m0./s1