2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C17H27ClN3O+ MolecularWeight: 324.86878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C17H26ClN3O/c1-4-20(5-2)17(22)13-19-8-10-21(11-9-19)16-12-15(18)7-6-14(16)3/h6-7,12H,4-5,8-11,13H2,1-3H3/p+1