3-[(4-fluoranyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-fluoranyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)prop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)acryloyl]amino]propyl-dimethyl-ammonium Formula: C19H21FN3OS2+ MolecularWeight: 390.517943

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C=CC3=CC=CS3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C19H20FN3OS2/c1-22(2)11-5-12-23(17(24)10-9-14-6-4-13-25-14)19-21-18-15(20)7-3-8-16(18)26-19/h3-4,6-10,13H,5,11-12H2,1-2H3/p+1/b10-9+