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

Systemtic Name: potassium 6-bromanyl-2-(4-butoxyphenyl)quinoline-4-carboxylate Openeye Name: potassium 6-bromo-2-(4-butoxyphenyl)quinoline-4-carboxylate CAS Name: potassium 6-bromo-2-(4-butoxyphenyl)-4-quinolinecarboxylate IUPAC Name: potassium 6-bromo-2-(4-butoxyphenyl)quinoline-4-carboxylate Traditional Name: potassium 6-bromo-2-(4-butoxyphenyl)cinchoninate Formula: C20H17BrKNO3 MolecularWeight: 438.35618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-].[K+]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-].[K+]

InChI

InChI=1S/C20H18BrNO3.K/c1-2-3-10-25-15-7-4-13(5-8-15)19-12-17(20(23)24)16-11-14(21)6-9-18(16)22-19;/h4-9,11-12H,2-3,10H2,1H3,(H,23,24);/q;+1/p-1