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

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-3-ethyl-piperidin-1-ium iodide Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-3-ethyl-piperidin-1-ium iodide CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-3-ethylpiperidin-1-ium iodide IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)-3-ethylpiperidin-1-ium iodide Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)-3-ethyl-piperidin-1-ium iodide Formula: C18H26IN3 MolecularWeight: 411.32361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC[N+](=C2C=C(N(N2C)C)C3=CC=CC=C3)C1.[I-]

Isomeric SMILES

CCC1CCC[N+](=C2C=C(N(N2C)C)C3=CC=CC=C3)C1.[I-]

InChI

InChI=1S/C18H26N3.HI/c1-4-15-9-8-12-21(14-15)18-13-17(19(2)20(18)3)16-10-6-5-7-11-16;/h5-7,10-11,13,15H,4,8-9,12,14H2,1-3H3;1H/q+1;/p-1