triethyl-[2-oxidanyl-3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propyl]azanium chloride

Systemtic Name: triethyl-[2-oxidanyl-3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propyl]azanium chloride Openeye Name: triethyl-[2-hydroxy-3-(2-oxo-1,3-benzothiazol-3-yl)propyl]ammonium chloride CAS Name: triethyl-[2-hydroxy-3-(2-oxo-1,3-benzothiazol-3-yl)propyl]ammonium chloride IUPAC Name: triethyl-[2-hydroxy-3-(2-oxo-1,3-benzothiazol-3-yl)propyl]azanium chloride Traditional Name: triethyl-[2-hydroxy-3-(2-keto-1,3-benzothiazol-3-yl)propyl]ammonium chloride Formula: C16H25ClN2O2S MolecularWeight: 344.8999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N2O2S.ClH/c1-4-18(5-2,6-3)12-13(19)11-17-14-9-7-8-10-15(14)21-16(17)20;/h7-10,13,19H,4-6,11-12H2,1-3H3;1H/q+1;/p-1