potassium 6-bromanyl-2-(4-butylphenyl)quinoline-4-carboxylate

Systemtic Name: potassium 6-bromanyl-2-(4-butylphenyl)quinoline-4-carboxylate Openeye Name: potassium 6-bromo-2-(4-butylphenyl)quinoline-4-carboxylate CAS Name: potassium 6-bromo-2-(4-butylphenyl)-4-quinolinecarboxylate IUPAC Name: potassium 6-bromo-2-(4-butylphenyl)quinoline-4-carboxylate Traditional Name: potassium 6-bromo-2-(4-butylphenyl)cinchoninate Formula: C20H17BrKNO2 MolecularWeight: 422.35678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-].[K+]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-].[K+]

InChI

InChI=1S/C20H18BrNO2.K/c1-2-3-4-13-5-7-14(8-6-13)19-12-17(20(23)24)16-11-15(21)9-10-18(16)22-19;/h5-12H,2-4H2,1H3,(H,23,24);/q;+1/p-1