4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]benzoic acid Openeye Name: 4-[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]benzoic acid CAS Name: 4-[(4-pyridin-4-yl-1-pyridin-1-iumyl)methyl]benzoic acid IUPAC Name: 4-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]benzoic acid Traditional Name: 4-[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]benzoic acid Formula: C18H15N2O2+ MolecularWeight: 291.3239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=CC=C(C=C2)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C18H14N2O2/c21-18(22)17-3-1-14(2-4-17)13-20-11-7-16(8-12-20)15-5-9-19-10-6-15/h1-12H,13H2/p+1