3-(1,4-diazepan-4-ium-1-yl)-1,2-benzothiazole 1,1-dioxide

Systemtic Name: 3-(1,4-diazepan-4-ium-1-yl)-1,2-benzothiazole 1,1-dioxide Openeye Name: 3-(1,4-diazepan-4-ium-1-yl)-1,2-benzothiazole 1,1-dioxide CAS Name: 3-(1,4-diazepan-4-ium-1-yl)-1,2-benzothiazole 1,1-dioxide IUPAC Name: 3-(1,4-diazepan-4-ium-1-yl)-1,2-benzothiazole 1,1-dioxide Traditional Name: 3-(1,4-diazepan-4-ium-1-yl)-1,2-benzothiazole 1,1-dioxide Formula: C12H16N3O2S+ MolecularWeight: 266.33934

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C12H15N3O2S/c16-18(17)11-5-2-1-4-10(11)12(14-18)15-8-3-6-13-7-9-15/h1-2,4-5,13H,3,6-9H2/p+1