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

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

Systemtic Name:3-ethanoyl-3-hexyl-1,3-benzothiazol-3-ium-2-one
Openeye Name:3-acetyl-3-hexyl-1,3-benzothiazol-3-ium-2-one
CAS Name:3-acetyl-3-hexyl-1,3-benzothiazol-3-ium-2-one
IUPAC Name:3-acetyl-3-hexyl-1,3-benzothiazol-3-ium-2-one
Traditional Name:3-acetyl-3-hexyl-1,3-benzothiazol-3-ium-2-one
Formula: C15H20NO2S+
MolecularWeight: 278.3898
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H20NO2S/c1-3-4-5-8-11-16(12(2)17)13-9-6-7-10-14(13)19-15(16)18/h6-7,9-10H,3-5,8,11H2,1-2H3/q+1


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