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

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium-2-carbonitrile Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium-2-carbonitrile CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-2-piperidin-1-iumcarbonitrile IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)piperidin-1-ium-2-carbonitrile Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)piperidin-1-ium-2-carbonitrile Formula: C17H21N4+ MolecularWeight: 281.37544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N4/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/q+1