trimethyl-[2-(4-nitrophenyl)carbonylsulfanylethyl]azanium iodide

Systemtic Name: trimethyl-[2-(4-nitrophenyl)carbonylsulfanylethyl]azanium iodide Openeye Name: trimethyl-[2-(4-nitrobenzoyl)sulfanylethyl]ammonium iodide CAS Name: trimethyl-[2-[[(4-nitrophenyl)-oxomethyl]thio]ethyl]ammonium iodide IUPAC Name: trimethyl-[2-(4-nitrobenzoyl)sulfanylethyl]azanium iodide Traditional Name: trimethyl-[2-[(4-nitrobenzoyl)thio]ethyl]ammonium iodide Formula: C12H17IN2O3S MolecularWeight: 396.24445

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCSC(=O)C1=CC=C(C=C1)[N+](=O)[O-].[I-]

Isomeric SMILES

C[N+](C)(C)CCSC(=O)C1=CC=C(C=C1)[N+](=O)[O-].[I-]

InChI

InChI=1S/C12H17N2O3S.HI/c1-14(2,3)8-9-18-12(15)10-4-6-11(7-5-10)13(16)17;/h4-7H,8-9H2,1-3H3;1H/q+1;/p-1