1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium; methyl sulfate

Systemtic Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium; methyl sulfate Openeye Name: 1-(1,2-dimethyl-5-phenyl-pyrazol-3-ylidene)piperidin-1-ium; methyl sulfate CAS Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolylidene)piperidin-1-ium; methyl sulfate IUPAC Name: 1-(1,2-dimethyl-5-phenylpyrazol-3-ylidene)piperidin-1-ium; methyl sulfate Traditional Name: 1-(1,2-dimethyl-5-phenyl-3-pyrazolin-3-ylidene)piperidin-1-ium; methyl sulfate Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]2CCCCC2)N1C)C3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C(=CC(=[N+]2CCCCC2)N1C)C3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H22N3.CH4O4S/c1-17-15(14-9-5-3-6-10-14)13-16(18(17)2)19-11-7-4-8-12-19;1-5-6(2,3)4/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1