3-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]propyl]-methyl-ammonium CAS Name: 3-[[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]propyl]-methylazanium Traditional Name: benzyl-[3-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]propyl]-methyl-ammonium Formula: C20H21ClFN2OS+ MolecularWeight: 391.909943

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)C1=C(C2=C(S1)C=C(C=C2)F)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H20ClFN2OS/c1-24(13-14-6-3-2-4-7-14)11-5-10-23-20(25)19-18(21)16-9-8-15(22)12-17(16)26-19/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,23,25)/p+1