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

Systemtic Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanal bromide Openeye Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanal bromide CAS Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanal bromide IUPAC Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanal bromide Traditional Name: 2-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propionaldehyde bromide Formula: C11H12BrNOS MolecularWeight: 286.18808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)C(C)C=O.[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)C(C)C=O.[Br-]

InChI

InChI=1S/C11H12NOS.BrH/c1-8(7-13)12-9(2)14-11-6-4-3-5-10(11)12;/h3-8H,1-2H3;1H/q+1;/p-1