3-butyl-2-oxidanidyl-1,2-benzothiazol-2-ium 1,1-dioxide

Systemtic Name: 3-butyl-2-oxidanidyl-1,2-benzothiazol-2-ium 1,1-dioxide Openeye Name: 3-butyl-2-oxido-1,2-benzothiazol-2-ium 1,1-dioxide CAS Name: 3-butyl-2-oxido-1,2-benzothiazol-2-ium 1,1-dioxide IUPAC Name: 3-butyl-2-oxido-1,2-benzothiazol-2-ium 1,1-dioxide Traditional Name: 3-butyl-2-oxido-1,2-benzothiazol-2-ium 1,1-dioxide Formula: C11H13NO3S MolecularWeight: 239.29082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](S(=O)(=O)C2=CC=CC=C21)[O-]

Isomeric SMILES

CCCCC1=[N+](S(=O)(=O)C2=CC=CC=C21)[O-]

InChI

InChI=1S/C11H13NO3S/c1-2-3-7-10-9-6-4-5-8-11(9)16(14,15)12(10)13/h4-6,8H,2-3,7H2,1H3