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

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)azepan-1-ium iodide Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)azepan-1-ium iodide CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)azepan-1-ium iodide IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)azepan-1-ium iodide Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)azepan-1-ium iodide Formula: C17H24IN3 MolecularWeight: 397.29703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]2CCCCCC2)N1C)C3=CC=CC=C3.[I-]

Isomeric SMILES

CN1C(=CC(=[N+]2CCCCCC2)N1C)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C17H24N3.HI/c1-18-16(15-10-6-5-7-11-15)14-17(19(18)2)20-12-8-3-4-9-13-20;/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3;1H/q+1;/p-1