3-(2-methyl-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl)propanal bromide

Systemtic Name: 3-(2-methyl-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl)propanal bromide Openeye Name: 3-(2-methyl-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl)propanal bromide CAS Name: 3-(2-methyl-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl)propanal bromide IUPAC Name: 3-(2-methyl-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl)propanal bromide Traditional Name: 3-(2-methyl-2,3-dihydro-1,3-benzothiazol-3-ium-3-yl)propionaldehyde bromide Formula: C11H14BrNOS MolecularWeight: 288.20396

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Descriptors Computed from Structure

Canonical SMILES:

CC1[NH+](C2=CC=CC=C2S1)CCC=O.[Br-]

Isomeric SMILES

CC1[NH+](C2=CC=CC=C2S1)CCC=O.[Br-]

InChI

InChI=1S/C11H13NOS.BrH/c1-9-12(7-4-8-13)10-5-2-3-6-11(10)14-9;/h2-3,5-6,8-9H,4,7H2,1H3;1H