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

Systemtic Name: 1-(azocan-1-yl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(azocan-1-yl)-2-(4,5-dimethylthiazol-3-ium-3-yl)ethanone bromide CAS Name: 1-(1-azocanyl)-2-(4,5-dimethyl-3-thiazol-3-iumyl)ethanone bromide IUPAC Name: 1-(azocan-1-yl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(azocan-1-yl)-2-(4,5-dimethylthiazol-3-ium-3-yl)ethanone bromide Formula: C14H23BrN2OS MolecularWeight: 347.31422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)N2CCCCCCC2)C.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)N2CCCCCCC2)C.[Br-]

InChI

InChI=1S/C14H23N2OS.BrH/c1-12-13(2)18-11-16(12)10-14(17)15-8-6-4-3-5-7-9-15;/h11H,3-10H2,1-2H3;1H/q+1;/p-1