1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-4-phenyl-piperidin-1-ium iodide

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-4-phenyl-piperidin-1-ium iodide Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-4-phenyl-piperidin-1-ium iodide CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-4-phenylpiperidin-1-ium iodide IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)-4-phenylpiperidin-1-ium iodide Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)-4-phenyl-piperidin-1-ium iodide Formula: C22H26IN3 MolecularWeight: 459.36641

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]2CCC(CC2)C3=CC=CC=C3)N1C)C4=CC=CC=C4.[I-]

Isomeric SMILES

CN1C(=CC(=[N+]2CCC(CC2)C3=CC=CC=C3)N1C)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H26N3.HI/c1-23-21(20-11-7-4-8-12-20)17-22(24(23)2)25-15-13-19(14-16-25)18-9-5-3-6-10-18;/h3-12,17,19H,13-16H2,1-2H3;1H/q+1;/p-1