2-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]ethyl-trimethyl-azanium iodide

Systemtic Name: 2-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]ethyl-trimethyl-azanium iodide Openeye Name: 2-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]ethyl-trimethyl-ammonium iodide CAS Name: 2-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]ethyl-trimethylammonium iodide IUPAC Name: 2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]ethyl-trimethylazanium iodide Traditional Name: 2-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]ethyl-trimethyl-ammonium iodide Formula: C13H21ClIN3O2 MolecularWeight: 413.68221

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.[I-]

Isomeric SMILES

C[N+](C)(C)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.[I-]

InChI

InChI=1S/C13H20ClN3O2.HI/c1-17(2,3)6-5-16-13(18)9-7-10(14)11(15)8-12(9)19-4;/h7-8H,5-6H2,1-4H3,(H2-,15,16,18);1H