2-(4-phenacyl-1,4-diazepan-1-ium-1-yl)-1-phenyl-ethanone chloride

Systemtic Name: 2-(4-phenacyl-1,4-diazepan-1-ium-1-yl)-1-phenyl-ethanone chloride Openeye Name: 2-(4-phenacyl-1,4-diazepan-1-ium-1-yl)-1-phenyl-ethanone chloride CAS Name: 2-(4-phenacyl-1,4-diazepan-1-ium-1-yl)-1-phenylethanone chloride IUPAC Name: 2-(4-phenacyl-1,4-diazepan-1-ium-1-yl)-1-phenylethanone chloride Traditional Name: 2-(4-phenacyl-1,4-diazepan-1-ium-1-yl)-1-phenyl-ethanone chloride Formula: C21H25ClN2O2 MolecularWeight: 372.8884

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1C[NH+](CCN(C1)CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H24N2O2.ClH/c24-20(18-8-3-1-4-9-18)16-22-12-7-13-23(15-14-22)17-21(25)19-10-5-2-6-11-19;/h1-6,8-11H,7,12-17H2;1H