2-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]ethyl-dimethyl-sulfanium iodide

Systemtic Name: 2-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]ethyl-dimethyl-sulfanium iodide Openeye Name: 2-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]ethyl-dimethyl-sulfonium iodide CAS Name: 2-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]ethyl-dimethylsulfonium iodide IUPAC Name: 2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]ethyl-dimethylsulfanium iodide Traditional Name: 2-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]ethyl-dimethyl-sulfonium iodide Formula: C12H18ClIN2O2S MolecularWeight: 416.70599

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NCC[S+](C)C)Cl)N.[I-]

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NCC[S+](C)C)Cl)N.[I-]

InChI

InChI=1S/C12H17ClN2O2S.HI/c1-17-11-7-10(14)9(13)6-8(11)12(16)15-4-5-18(2)3;/h6-7H,4-5H2,1-3H3,(H2-,14,15,16);1H