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

Systemtic Name: 2-(1-ethyl-4-pyridin-2-yl-5-pyridin-3-yl-pyrazol-1-ium-1-yl)ethanoic acid Openeye Name: 2-[1-ethyl-4-(2-pyridyl)-5-(3-pyridyl)pyrazol-1-ium-1-yl]acetic acid CAS Name: 2-[1-ethyl-4-(2-pyridinyl)-5-(3-pyridinyl)-1-pyrazol-1-iumyl]acetic acid IUPAC Name: 2-(1-ethyl-4-pyridin-2-yl-5-pyridin-3-ylpyrazol-1-ium-1-yl)acetic acid Traditional Name: 2-[1-ethyl-4-(2-pyridyl)-5-(3-pyridyl)pyrazol-1-ium-1-yl]acetic acid Formula: C17H17N4O2+ MolecularWeight: 309.34248

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=C(C=N1)C2=CC=CC=N2)C3=CN=CC=C3)CC(=O)O

Isomeric SMILES

CC[N+]1(C(=C(C=N1)C2=CC=CC=N2)C3=CN=CC=C3)CC(=O)O

InChI

InChI=1S/C17H16N4O2/c1-2-21(12-16(22)23)17(13-6-5-8-18-10-13)14(11-20-21)15-7-3-4-9-19-15/h3-11H,2,12H2,1H3/p+1