5-[2-(dimethylazaniumyl)ethoxy]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 5-[2-(dimethylazaniumyl)ethoxy]-1-phenyl-pyrazole-4-carboxylate Openeye Name: 5-[2-(dimethylammonio)ethoxy]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[2-(dimethylammonio)ethoxy]-1-phenyl-4-pyrazolecarboxylate IUPAC Name: 5-[2-(dimethylazaniumyl)ethoxy]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-(dimethylammonio)ethoxy]-1-phenyl-pyrazole-4-carboxylate Formula: C14H17N3O3 MolecularWeight: 275.30308

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=NN1C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCOC1=C(C=NN1C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C14H17N3O3/c1-16(2)8-9-20-13-12(14(18)19)10-15-17(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,18,19)