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

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium-3-ol iodide Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium-3-ol iodide CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-3-piperidin-1-iumol iodide IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)piperidin-1-ium-3-ol iodide Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)piperidin-1-ium-3-ol iodide Formula: C16H22IN3O MolecularWeight: 399.26985

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N3O.HI/c1-17-15(13-7-4-3-5-8-13)11-16(18(17)2)19-10-6-9-14(20)12-19;/h3-5,7-8,11,14,20H,6,9-10,12H2,1-2H3;1H/q+1;/p-1