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

Systemtic Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanal Openeye Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanal CAS Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanal IUPAC Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanal Traditional Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propionaldehyde Formula: C11H12NOS+ MolecularWeight: 206.28408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCC=O

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCC=O

InChI

InChI=1S/C11H12NOS/c1-9-12(7-4-8-13)10-5-2-3-6-11(10)14-9/h2-3,5-6,8H,4,7H2,1H3/q+1