trimethyl-[2-methyl-3-oxidanylidene-3-(2-oxidanylidene-3H-1,3-benzothiazol-5-yl)propyl]azanium iodide

Systemtic Name: trimethyl-[2-methyl-3-oxidanylidene-3-(2-oxidanylidene-3H-1,3-benzothiazol-5-yl)propyl]azanium iodide Openeye Name: trimethyl-[2-methyl-3-oxo-3-(2-oxo-3H-1,3-benzothiazol-5-yl)propyl]ammonium iodide CAS Name: trimethyl-[2-methyl-3-oxo-3-(2-oxo-3H-1,3-benzothiazol-5-yl)propyl]ammonium iodide IUPAC Name: trimethyl-[2-methyl-3-oxo-3-(2-oxo-3H-1,3-benzothiazol-5-yl)propyl]azanium iodide Traditional Name: [3-keto-3-(2-keto-3H-1,3-benzothiazol-5-yl)-2-methyl-propyl]-trimethyl-ammonium iodide Formula: C14H19IN2O2S MolecularWeight: 406.28233

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](C)(C)C)C(=O)C1=CC2=C(C=C1)SC(=O)N2.[I-]

Isomeric SMILES

CC(C[N+](C)(C)C)C(=O)C1=CC2=C(C=C1)SC(=O)N2.[I-]

InChI

InChI=1S/C14H18N2O2S.HI/c1-9(8-16(2,3)4)13(17)10-5-6-12-11(7-10)15-14(18)19-12;/h5-7,9H,8H2,1-4H3;1H