2-(1,3-dioxolan-2-yl)-3-(phenylmethyl)-1,3-thiazol-3-ium bromide

Systemtic Name: 2-(1,3-dioxolan-2-yl)-3-(phenylmethyl)-1,3-thiazol-3-ium bromide Openeye Name: 3-benzyl-2-(1,3-dioxolan-2-yl)thiazol-3-ium bromide CAS Name: 2-(1,3-dioxolan-2-yl)-3-(phenylmethyl)thiazol-3-ium bromide IUPAC Name: 3-benzyl-2-(1,3-dioxolan-2-yl)-1,3-thiazol-3-ium bromide Traditional Name: 3-benzyl-2-(1,3-dioxolan-2-yl)thiazol-3-ium bromide Formula: C13H14BrNO2S MolecularWeight: 328.22476

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)C2=[N+](C=CS2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

C1COC(O1)C2=[N+](C=CS2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C13H14NO2S.BrH/c1-2-4-11(5-3-1)10-14-6-9-17-12(14)13-15-7-8-16-13;/h1-6,9,13H,7-8,10H2;1H/q+1;/p-1