3-butyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-carbaldehyde

Systemtic Name: 3-butyl-2-oxidanylidene-1,3-benzothiazol-3-ium-3-carbaldehyde Openeye Name: 3-butyl-2-oxo-1,3-benzothiazol-3-ium-3-carbaldehyde CAS Name: 3-butyl-2-oxo-1,3-benzothiazol-3-ium-3-carboxaldehyde IUPAC Name: 3-butyl-2-oxo-1,3-benzothiazol-3-ium-3-carbaldehyde Traditional Name: 3-butyl-2-keto-1,3-benzothiazol-3-ium-3-carbaldehyde Formula: C12H14NO2S+ MolecularWeight: 236.31006

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C2=CC=CC=C2SC1=O)C=O

Isomeric SMILES

CCCC[N+]1(C2=CC=CC=C2SC1=O)C=O

InChI

InChI=1S/C12H14NO2S/c1-2-3-8-13(9-14)10-6-4-5-7-11(10)16-12(13)15/h4-7,9H,2-3,8H2,1H3/q+1