1-phenyl-2-[2-[(phenylmethyl)amino]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]ethanone bromide

Systemtic Name: 1-phenyl-2-[2-[(phenylmethyl)amino]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]ethanone bromide Openeye Name: 2-[2-(benzylamino)-4,5-dihydrothiazol-3-ium-3-yl]-1-phenyl-ethanone bromide CAS Name: 1-phenyl-2-[2-[(phenylmethyl)amino]-4,5-dihydrothiazol-3-ium-3-yl]ethanone bromide IUPAC Name: 2-[2-(benzylamino)-4,5-dihydro-1,3-thiazol-3-ium-3-yl]-1-phenylethanone bromide Traditional Name: 2-[2-(benzylamino)-2-thiazolin-3-ium-3-yl]-1-phenyl-ethanone bromide Formula: C18H19BrN2OS MolecularWeight: 391.32526

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=[N+]1CC(=O)C2=CC=CC=C2)NCC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1CSC(=[N+]1CC(=O)C2=CC=CC=C2)NCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H18N2OS.BrH/c21-17(16-9-5-2-6-10-16)14-20-11-12-22-18(20)19-13-15-7-3-1-4-8-15;/h1-10H,11-14H2;1H