1-(2,3-dimethylphenyl)piperazin-1-ium iodide

Systemtic Name: 1-(2,3-dimethylphenyl)piperazin-1-ium iodide Openeye Name: 1-(2,3-dimethylphenyl)piperazin-1-ium iodide CAS Name: 1-(2,3-dimethylphenyl)piperazin-1-ium iodide IUPAC Name: 1-(2,3-dimethylphenyl)piperazin-1-ium iodide Traditional Name: 1-(2,3-dimethylphenyl)piperazin-1-ium iodide Formula: C12H19IN2 MolecularWeight: 318.19713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[NH+]2CCNCC2)C.[I-]

Isomeric SMILES

CC1=C(C(=CC=C1)[NH+]2CCNCC2)C.[I-]

InChI

InChI=1S/C12H18N2.HI/c1-10-4-3-5-12(11(10)2)14-8-6-13-7-9-14;/h3-5,13H,6-9H2,1-2H3;1H