2-[2-(3-methoxyphenyl)-1,3-benzothiazol-3-ium-3-yl]ethanal bromide

Systemtic Name: 2-[2-(3-methoxyphenyl)-1,3-benzothiazol-3-ium-3-yl]ethanal bromide Openeye Name: 2-[2-(3-methoxyphenyl)-1,3-benzothiazol-3-ium-3-yl]acetaldehyde bromide CAS Name: 2-[2-(3-methoxyphenyl)-1,3-benzothiazol-3-ium-3-yl]acetaldehyde bromide IUPAC Name: 2-[2-(3-methoxyphenyl)-1,3-benzothiazol-3-ium-3-yl]acetaldehyde bromide Traditional Name: 2-[2-(3-methoxyphenyl)-1,3-benzothiazol-3-ium-3-yl]acetaldehyde bromide Formula: C16H14BrNO2S MolecularWeight: 364.25686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=[N+](C3=CC=CC=C3S2)CC=O.[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=[N+](C3=CC=CC=C3S2)CC=O.[Br-]

InChI

InChI=1S/C16H14NO2S.BrH/c1-19-13-6-4-5-12(11-13)16-17(9-10-18)14-7-2-3-8-15(14)20-16;/h2-8,10-11H,9H2,1H3;1H/q+1;/p-1