3-[1-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-1-ium-3-yl]propanoic acid

Systemtic Name: 3-[1-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-1-ium-3-yl]propanoic acid Openeye Name: 3-[1-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-1-ium-3-yl]propanoic acid CAS Name: 3-[1-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-pyrazol-1-iumyl]propanoic acid IUPAC Name: 3-[1-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-1-ium-3-yl]propanoic acid Traditional Name: 3-[1-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-1-ium-3-yl]propionic acid Formula: C19H18ClN2O3+ MolecularWeight: 357.81082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+]2(C=CC(=N2)CCC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)[N+]2(C=CC(=N2)CCC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN2O3/c1-25-18-9-7-17(8-10-18)22(16-5-2-14(20)3-6-16)13-12-15(21-22)4-11-19(23)24/h2-3,5-10,12-13H,4,11H2,1H3/p+1