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

Systemtic Name: 3-(2-propyl-1,3-benzothiazol-3-ium-3-yl)propanal Openeye Name: 3-(2-propyl-1,3-benzothiazol-3-ium-3-yl)propanal CAS Name: 3-(2-propyl-1,3-benzothiazol-3-ium-3-yl)propanal IUPAC Name: 3-(2-propyl-1,3-benzothiazol-3-ium-3-yl)propanal Traditional Name: 3-(2-propyl-1,3-benzothiazol-3-ium-3-yl)propionaldehyde Formula: C13H16NOS+ MolecularWeight: 234.33724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C2=CC=CC=C2S1)CCC=O

Isomeric SMILES

CCCC1=[N+](C2=CC=CC=C2S1)CCC=O

InChI

InChI=1S/C13H16NOS/c1-2-6-13-14(9-5-10-15)11-7-3-4-8-12(11)16-13/h3-4,7-8,10H,2,5-6,9H2,1H3/q+1