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

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

Systemtic Name:1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium-2-carbonitrile iodide
Openeye Name:1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium-2-carbonitrile iodide
CAS Name:1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-2-piperidin-1-iumcarbonitrile iodide
IUPAC Name:1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)piperidin-1-ium-2-carbonitrile iodide
Traditional Name:1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)piperidin-1-ium-2-carbonitrile iodide
Formula: C17H21IN4
MolecularWeight: 408.27991
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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]2CCCCC2C#N)N1C)C3=CC=CC=C3.[I-]


Isomeric SMILES

CN1C(=CC(=[N+]2CCCCC2C#N)N1C)C3=CC=CC=C3.[I-]


InChI

InChI=1S/C17H21N4.HI/c1-19-16(14-8-4-3-5-9-14)12-17(20(19)2)21-11-7-6-10-15(21)13-18;/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3;1H/q+1;/p-1


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