trioctyl-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]azanium chloride

Systemtic Name: trioctyl-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]azanium chloride Openeye Name: trioctyl-[(2-oxo-1,3-benzothiazol-3-yl)methyl]ammonium chloride CAS Name: trioctyl-[(2-oxo-1,3-benzothiazol-3-yl)methyl]ammonium chloride IUPAC Name: trioctyl-[(2-oxo-1,3-benzothiazol-3-yl)methyl]azanium chloride Traditional Name: (2-keto-1,3-benzothiazol-3-yl)methyl-trioctyl-ammonium chloride Formula: C32H57ClN2OS MolecularWeight: 553.32578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CN1C2=CC=CC=C2SC1=O.[Cl-]

Isomeric SMILES

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CN1C2=CC=CC=C2SC1=O.[Cl-]

InChI

InChI=1S/C32H57N2OS.ClH/c1-4-7-10-13-16-21-26-34(27-22-17-14-11-8-5-2,28-23-18-15-12-9-6-3)29-33-30-24-19-20-25-31(30)36-32(33)35;/h19-20,24-25H,4-18,21-23,26-29H2,1-3H3;1H/q+1;/p-1