3-butyl-3-ethanoyl-1,3-benzothiazol-3-ium-2-one

Systemtic Name: 3-butyl-3-ethanoyl-1,3-benzothiazol-3-ium-2-one Openeye Name: 3-acetyl-3-butyl-1,3-benzothiazol-3-ium-2-one CAS Name: 3-acetyl-3-butyl-1,3-benzothiazol-3-ium-2-one IUPAC Name: 3-acetyl-3-butyl-1,3-benzothiazol-3-ium-2-one Traditional Name: 3-acetyl-3-butyl-1,3-benzothiazol-3-ium-2-one Formula: C13H16NO2S+ MolecularWeight: 250.33664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16NO2S/c1-3-4-9-14(10(2)15)11-7-5-6-8-12(11)17-13(14)16/h5-8H,3-4,9H2,1-2H3/q+1