3-chloranyl-1-(4,4-dimethylpiperazin-4-ium-1-yl)propan-1-one iodide

Systemtic Name: 3-chloranyl-1-(4,4-dimethylpiperazin-4-ium-1-yl)propan-1-one iodide Openeye Name: 3-chloro-1-(4,4-dimethylpiperazin-4-ium-1-yl)propan-1-one iodide CAS Name: 3-chloro-1-(4,4-dimethyl-1-piperazin-4-iumyl)-1-propanone iodide IUPAC Name: 3-chloro-1-(4,4-dimethylpiperazin-4-ium-1-yl)propan-1-one iodide Traditional Name: 3-chloro-1-(4,4-dimethylpiperazin-4-ium-1-yl)propan-1-one iodide Formula: C9H18ClIN2O MolecularWeight: 332.60949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)CCCl)C.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)CCCl)C.[I-]

InChI

InChI=1S/C9H18ClN2O.HI/c1-12(2)7-5-11(6-8-12)9(13)3-4-10;/h3-8H2,1-2H3;1H/q+1;/p-1