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

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-4-(phenylmethyl)piperidin-1-ium iodide Openeye Name: 4-benzyl-1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium iodide CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-4-(phenylmethyl)piperidin-1-ium iodide IUPAC Name: 4-benzyl-1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)piperidin-1-ium iodide Traditional Name: 4-benzyl-1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)piperidin-1-ium iodide Formula: C23H28IN3 MolecularWeight: 473.39299

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]2CCC(CC2)CC3=CC=CC=C3)N1C)C4=CC=CC=C4.[I-]

Isomeric SMILES

CN1C(=CC(=[N+]2CCC(CC2)CC3=CC=CC=C3)N1C)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C23H28N3.HI/c1-24-22(21-11-7-4-8-12-21)18-23(25(24)2)26-15-13-20(14-16-26)17-19-9-5-3-6-10-19;/h3-12,18,20H,13-17H2,1-2H3;1H/q+1;/p-1