2-[4-(4-bromophenyl)-1-ethyl-5-phenyl-pyrazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-bromophenyl)-1-ethyl-5-phenyl-pyrazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-(4-bromophenyl)-1-ethyl-5-phenyl-pyrazol-1-ium-1-yl]acetic acid CAS Name: 2-[4-(4-bromophenyl)-1-ethyl-5-phenyl-1-pyrazol-1-iumyl]acetic acid IUPAC Name: 2-[4-(4-bromophenyl)-1-ethyl-5-phenylpyrazol-1-ium-1-yl]acetic acid Traditional Name: 2-[4-(4-bromophenyl)-1-ethyl-5-phenyl-pyrazol-1-ium-1-yl]acetic acid Formula: C19H18BrN2O2+ MolecularWeight: 386.26242

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=C(C=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC[N+]1(C(=C(C=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C19H17BrN2O2/c1-2-22(13-18(23)24)19(15-6-4-3-5-7-15)17(12-21-22)14-8-10-16(20)11-9-14/h3-12H,2,13H2,1H3/p+1