N-[4-(4-methylphenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]pyridine-4-carboxamide bromide

Systemtic Name: N-[4-(4-methylphenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]pyridine-4-carboxamide bromide Openeye Name: N-[2-anilino-4-(p-tolyl)thiazol-3-ium-3-yl]pyridine-4-carboxamide bromide CAS Name: N-[2-anilino-4-(4-methylphenyl)-3-thiazol-3-iumyl]-4-pyridinecarboxamide bromide IUPAC Name: N-[2-anilino-4-(4-methylphenyl)-1,3-thiazol-3-ium-3-yl]pyridine-4-carboxamide bromide Traditional Name: N-[2-anilino-4-(p-tolyl)thiazol-3-ium-3-yl]isonicotinamide bromide Formula: C22H19BrN4OS MolecularWeight: 467.38146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=[N+]2NC(=O)C3=CC=NC=C3)NC4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=[N+]2NC(=O)C3=CC=NC=C3)NC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H18N4OS.BrH/c1-16-7-9-17(10-8-16)20-15-28-22(24-19-5-3-2-4-6-19)26(20)25-21(27)18-11-13-23-14-12-18;/h2-15H,1H3,(H,25,27);1H