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

Systemtic Name: 1-(1-ethyl-2-methyl-5-phenyl-pyrazol-3-ylidene)-3-methyl-piperidin-1-ium; ethyl sulfate Openeye Name: 1-(1-ethyl-2-methyl-5-phenyl-pyrazol-3-ylidene)-3-methyl-piperidin-1-ium; ethyl sulfate CAS Name: 1-(1-ethyl-2-methyl-5-phenyl-3-pyrazolylidene)-3-methylpiperidin-1-ium; ethyl sulfate IUPAC Name: 1-(1-ethyl-2-methyl-5-phenylpyrazol-3-ylidene)-3-methylpiperidin-1-ium; ethyl sulfate Traditional Name: 1-(1-ethyl-2-methyl-5-phenyl-3-pyrazolin-3-ylidene)-3-methyl-piperidin-1-ium; ethyl sulfate Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCN1C(=CC(=[N+]2CCCC(C2)C)N1C)C3=CC=CC=C3.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C18H26N3.C2H6O4S/c1-4-21-17(16-10-6-5-7-11-16)13-18(19(21)3)20-12-8-9-15(2)14-20;1-2-6-7(3,4)5/h5-7,10-11,13,15H,4,8-9,12,14H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1