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

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium-4-carboxylic acid iodide Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium-4-carboxylic acid iodide CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)-4-piperidin-1-iumcarboxylic acid iodide IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)piperidin-1-ium-4-carboxylic acid iodide Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)piperidin-1-ium-4-carboxylic acid iodide Formula: C17H22IN3O2 MolecularWeight: 427.27995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2.HI/c1-18-15(13-6-4-3-5-7-13)12-16(19(18)2)20-10-8-14(9-11-20)17(21)22;/h3-7,12,14H,8-11H2,1-2H3;1H