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

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-4-methoxy-piperidin-1-ium iodide Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)-4-methoxy-piperidin-1-ium iodide CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-4-methoxypiperidin-1-ium iodide IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)-4-methoxypiperidin-1-ium iodide Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)-4-methoxy-piperidin-1-ium iodide Formula: C17H24IN3O MolecularWeight: 413.29643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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