3-cycloheptyl-1,2-dimethyl-5-phenyl-pyrazol-1-ium iodide

Systemtic Name: 3-cycloheptyl-1,2-dimethyl-5-phenyl-pyrazol-1-ium iodide Openeye Name: 3-cycloheptyl-1,2-dimethyl-5-phenyl-pyrazol-1-ium iodide CAS Name: 3-cycloheptyl-1,2-dimethyl-5-phenylpyrazol-1-ium iodide IUPAC Name: 3-cycloheptyl-1,2-dimethyl-5-phenylpyrazol-1-ium iodide Traditional Name: 3-cycloheptyl-1,2-dimethyl-5-phenyl-pyrazol-1-ium iodide Formula: C18H25IN2 MolecularWeight: 396.30897

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3CCCCCC3.[I-]

Isomeric SMILES

CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3CCCCCC3.[I-]

InChI

InChI=1S/C18H25N2.HI/c1-19-17(15-10-6-3-4-7-11-15)14-18(20(19)2)16-12-8-5-9-13-16;/h5,8-9,12-15H,3-4,6-7,10-11H2,1-2H3;1H/q+1;/p-1