N,N-dimethylcarbamate; trimethyl-(3-sulfanylphenyl)azanium; iodide

Systemtic Name: N,N-dimethylcarbamate; trimethyl-(3-sulfanylphenyl)azanium; iodide Openeye Name: N,N-dimethylcarbamate; trimethyl-(3-sulfanylphenyl)ammonium; iodide CAS Name: N,N-dimethylcarbamate; (3-mercaptophenyl)-trimethylammonium; iodide IUPAC Name: N,N-dimethylcarbamate; trimethyl-(3-sulfanylphenyl)azanium; iodide Traditional Name: N,N-dimethylcarbamate; (3-mercaptophenyl)-trimethyl-ammonium; iodide Formula: C12H20IN2O2S- MolecularWeight: 383.26887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NS.C3H7NO2.HI/c1-10(2,3)8-5-4-6-9(11)7-8;1-4(2)3(5)6;/h4-7H,1-3H3;1-2H3,(H,5,6);1H/p-1