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

Systemtic Name: [(1S)-2-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-fluorobenzothiophene-2-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(4-fluorobenzothiophene-2-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C17H18FN2OS2+ MolecularWeight: 349.466023

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC2=C(C=CC=C2S1)F)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC2=C(C=CC=C2S1)F)C3=CSC=C3

InChI

InChI=1S/C17H17FN2OS2/c1-20(2)14(11-6-7-22-10-11)9-19-17(21)16-8-12-13(18)4-3-5-15(12)23-16/h3-8,10,14H,9H2,1-2H3,(H,19,21)/p+1/t14-/m1/s1