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

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-3-methoxy-piperidin-1-ium iodide Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-3-methoxy-piperidin-1-ium iodide CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-3-methoxypiperidin-1-ium iodide IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)-3-methoxypiperidin-1-ium iodide Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)-3-methoxy-piperidin-1-ium iodide Formula: C17H24IN3O MolecularWeight: 413.29643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]2CCCC(C2)OC)N1C)C3=CC=CC=C3.[I-]

Isomeric SMILES

CN1C(=CC(=[N+]2CCCC(C2)OC)N1C)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C17H24N3O.HI/c1-18-16(14-8-5-4-6-9-14)12-17(19(18)2)20-11-7-10-15(13-20)21-3;/h4-6,8-9,12,15H,7,10-11,13H2,1-3H3;1H/q+1;/p-1