2-[1-ethyl-5-(3-methoxyphenyl)-4-pyridin-4-yl-pyrazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-ethyl-5-(3-methoxyphenyl)-4-pyridin-4-yl-pyrazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-ethyl-5-(3-methoxyphenyl)-4-(4-pyridyl)pyrazol-1-ium-1-yl]acetic acid CAS Name: 2-[1-ethyl-5-(3-methoxyphenyl)-4-pyridin-4-yl-1-pyrazol-1-iumyl]acetic acid IUPAC Name: 2-[1-ethyl-5-(3-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-ethyl-5-(3-methoxyphenyl)-4-(4-pyridyl)pyrazol-1-ium-1-yl]acetic acid Formula: C19H20N3O3+ MolecularWeight: 338.3804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3/c1-3-22(13-18(23)24)19(15-5-4-6-16(11-15)25-2)17(12-21-22)14-7-9-20-10-8-14/h4-12H,3,13H2,1-2H3/p+1