2-(5-ethyl-1-methyl-3,4-diphenyl-pyrazol-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(5-ethyl-1-methyl-3,4-diphenyl-pyrazol-1-ium-1-yl)ethanoic acid Openeye Name: 2-(5-ethyl-1-methyl-3,4-diphenyl-pyrazol-1-ium-1-yl)acetic acid CAS Name: 2-(5-ethyl-1-methyl-3,4-diphenyl-1-pyrazol-1-iumyl)acetic acid IUPAC Name: 2-(5-ethyl-1-methyl-3,4-diphenylpyrazol-1-ium-1-yl)acetic acid Traditional Name: 2-(5-ethyl-1-methyl-3,4-diphenyl-pyrazol-1-ium-1-yl)acetic acid Formula: C20H21N2O2+ MolecularWeight: 321.39294

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=N[N+]1(C)CC(=O)O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=N[N+]1(C)CC(=O)O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O2/c1-3-17-19(15-10-6-4-7-11-15)20(16-12-8-5-9-13-16)21-22(17,2)14-18(23)24/h4-13H,3,14H2,1-2H3/p+1