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

Systemtic Name: 2-[5-(4-dimethylaminophenyl)-1-ethyl-4-phenyl-pyrazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[5-(4-dimethylaminophenyl)-1-ethyl-4-phenyl-pyrazol-1-ium-1-yl]acetic acid CAS Name: 2-[5-(4-dimethylaminophenyl)-1-ethyl-4-phenyl-1-pyrazol-1-iumyl]acetic acid IUPAC Name: 2-[5-(4-dimethylaminophenyl)-1-ethyl-4-phenylpyrazol-1-ium-1-yl]acetic acid Traditional Name: 2-[5-(4-dimethylaminophenyl)-1-ethyl-4-phenyl-pyrazol-1-ium-1-yl]acetic acid Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-4-24(15-20(25)26)21(17-10-12-18(13-11-17)23(2)3)19(14-22-24)16-8-6-5-7-9-16/h5-14H,4,15H2,1-3H3/p+1