2-[(3-chloranyl-4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chloro-4-fluoro-benzothiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloro-4-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chloro-4-fluoro-1-benzothiophene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chloro-4-fluoro-benzothiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C13H15ClFN2OS+ MolecularWeight: 301.787403

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=C(C2=C(C=CC=C2S1)F)Cl

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=C(C2=C(C=CC=C2S1)F)Cl

InChI

InChI=1S/C13H14ClFN2OS/c1-17(2)7-6-16-13(18)12-11(14)10-8(15)4-3-5-9(10)19-12/h3-5H,6-7H2,1-2H3,(H,16,18)/p+1