ethyl 1,2-dimethyl-5-phenyl-pyrazol-1-ium-3-carboxylate; hydrogen sulfate

Systemtic Name: ethyl 1,2-dimethyl-5-phenyl-pyrazol-1-ium-3-carboxylate; hydrogen sulfate Openeye Name: ethyl 1,2-dimethyl-5-phenyl-pyrazol-1-ium-3-carboxylate; hydrogen sulfate CAS Name: 1,2-dimethyl-5-phenyl-3-pyrazol-1-iumcarboxylic acid ethyl ester; hydrogen sulfate IUPAC Name: ethyl 1,2-dimethyl-5-phenylpyrazol-1-ium-3-carboxylate; hydrogen sulfate Traditional Name: 1,2-dimethyl-5-phenyl-pyrazol-1-ium-3-carboxylic acid ethyl ester bisulfate Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=[N+](N1C)C)C2=CC=CC=C2.OS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=[N+](N1C)C)C2=CC=CC=C2.OS(=O)(=O)[O-]

InChI

InChI=1S/C14H17N2O2.H2O4S/c1-4-18-14(17)13-10-12(15(2)16(13)3)11-8-6-5-7-9-11;1-5(2,3)4/h5-10H,4H2,1-3H3;(H2,1,2,3,4)/q+1;/p-1