2-chloranyl-2-phenyl-1-(4-pyridin-2-ylpiperazin-4-ium-1-yl)ethanone chloride

Systemtic Name: 2-chloranyl-2-phenyl-1-(4-pyridin-2-ylpiperazin-4-ium-1-yl)ethanone chloride Openeye Name: 2-chloro-2-phenyl-1-[4-(2-pyridyl)piperazin-4-ium-1-yl]ethanone chloride CAS Name: 2-chloro-2-phenyl-1-[4-(2-pyridinyl)-1-piperazin-4-iumyl]ethanone chloride IUPAC Name: 2-chloro-2-phenyl-1-(4-pyridin-2-ylpiperazin-4-ium-1-yl)ethanone chloride Traditional Name: 2-chloro-2-phenyl-1-[4-(2-pyridyl)piperazin-4-ium-1-yl]ethanone chloride Formula: C17H19Cl2N3O MolecularWeight: 352.25826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2=CC=CC=N2)C(=O)C(C3=CC=CC=C3)Cl.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C2=CC=CC=N2)C(=O)C(C3=CC=CC=C3)Cl.[Cl-]

InChI

InChI=1S/C17H18ClN3O.ClH/c18-16(14-6-2-1-3-7-14)17(22)21-12-10-20(11-13-21)15-8-4-5-9-19-15;/h1-9,16H,10-13H2;1H