2-[1,3-diethyl-4-(4-methoxyphenyl)-5-phenyl-pyrazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1,3-diethyl-4-(4-methoxyphenyl)-5-phenyl-pyrazol-1-ium-1-yl]ethanoate Openeye Name: 2-[1,3-diethyl-4-(4-methoxyphenyl)-5-phenyl-pyrazol-1-ium-1-yl]acetate CAS Name: 2-[1,3-diethyl-4-(4-methoxyphenyl)-5-phenyl-1-pyrazol-1-iumyl]acetate IUPAC Name: 2-[1,3-diethyl-4-(4-methoxyphenyl)-5-phenylpyrazol-1-ium-1-yl]acetate Traditional Name: 2-[1,3-diethyl-4-(4-methoxyphenyl)-5-phenyl-pyrazol-1-ium-1-yl]acetate Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+](C(=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3)(CC)CC(=O)[O-]

Isomeric SMILES

CCC1=N[N+](C(=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3)(CC)CC(=O)[O-]

InChI

InChI=1S/C22H24N2O3/c1-4-19-21(16-11-13-18(27-3)14-12-16)22(17-9-7-6-8-10-17)24(5-2,23-19)15-20(25)26/h6-14H,4-5,15H2,1-3H3