2-(1-phenacylpyridin-1-ium-4-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide bromide

Systemtic Name: 2-(1-phenacylpyridin-1-ium-4-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide bromide Openeye Name: 2-(1-phenacylpyridin-1-ium-4-yl)-N-thiazol-2-yl-quinoline-4-carboxamide bromide CAS Name: 2-(1-phenacyl-4-pyridin-1-iumyl)-N-(2-thiazolyl)-4-quinolinecarboxamide bromide IUPAC Name: 2-(1-phenacylpyridin-1-ium-4-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide bromide Traditional Name: 2-(1-phenacylpyridin-1-ium-4-yl)-N-thiazol-2-yl-cinchoninamide bromide Formula: C26H19BrN4O2S MolecularWeight: 531.42366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=NC=CS5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=NC=CS5.[Br-]

InChI

InChI=1S/C26H18N4O2S.BrH/c31-24(19-6-2-1-3-7-19)17-30-13-10-18(11-14-30)23-16-21(20-8-4-5-9-22(20)28-23)25(32)29-26-27-12-15-33-26;/h1-16H,17H2;1H