2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone bromide

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone bromide Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone bromide CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-(4-phenyl-1-piperazinyl)ethanone bromide IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone bromide Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-(4-phenylpiperazino)ethanone bromide Formula: C17H22BrN3OS MolecularWeight: 396.34508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)N2CCN(CC2)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C17H22N3OS.BrH/c1-14-15(2)22-13-20(14)12-17(21)19-10-8-18(9-11-19)16-6-4-3-5-7-16;/h3-7,13H,8-12H2,1-2H3;1H/q+1;/p-1