1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperazin-1-ium iodide

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperazin-1-ium iodide Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperazin-1-ium iodide CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)piperazin-1-ium iodide IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)piperazin-1-ium iodide Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)piperazin-1-ium iodide Formula: C15H21IN4 MolecularWeight: 384.25851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]2CCNCC2)N1C)C3=CC=CC=C3.[I-]

Isomeric SMILES

CN1C(=CC(=[N+]2CCNCC2)N1C)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C15H21N4.HI/c1-17-14(13-6-4-3-5-7-13)12-15(18(17)2)19-10-8-16-9-11-19;/h3-7,12,16H,8-11H2,1-2H3;1H/q+1;/p-1