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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=[N+]2CCCC(C2)C)N1CC)C3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CCN1C(=CC(=[N+]2CCCC(C2)C)N1CC)C3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H28N3.CH4O4S/c1-4-21-18(17-11-7-6-8-12-17)14-19(22(21)5-2)20-13-9-10-16(3)15-20;1-5-6(2,3)4/h6-8,11-12,14,16H,4-5,9-10,13,15H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1