2-(1-butylpyridin-1-ium-4-yl)-6-(4-chlorophenyl)pyridine-4-carboxylic acid

Systemtic Name: 2-(1-butylpyridin-1-ium-4-yl)-6-(4-chlorophenyl)pyridine-4-carboxylic acid Openeye Name: 2-(1-butylpyridin-1-ium-4-yl)-6-(4-chlorophenyl)pyridine-4-carboxylic acid CAS Name: 2-(1-butyl-4-pyridin-1-iumyl)-6-(4-chlorophenyl)-4-pyridinecarboxylic acid IUPAC Name: 2-(1-butylpyridin-1-ium-4-yl)-6-(4-chlorophenyl)pyridine-4-carboxylic acid Traditional Name: 2-(1-butylpyridin-1-ium-4-yl)-6-(4-chlorophenyl)isonicotinic acid Formula: C21H20ClN2O2+ MolecularWeight: 367.8487

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)C2=CC(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)C2=CC(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H19ClN2O2/c1-2-3-10-24-11-8-16(9-12-24)20-14-17(21(25)26)13-19(23-20)15-4-6-18(22)7-5-15/h4-9,11-14H,2-3,10H2,1H3/p+1