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

Systemtic Name: 3-[(4-fluoranyl-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-phenylprop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-[(E)-3-phenylprop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-[(E)-3-phenylacryloyl]amino]propyl-dimethyl-ammonium Formula: C21H23FN3OS+ MolecularWeight: 384.490223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3OS/c1-24(2)14-7-15-25(19(26)13-12-16-8-4-3-5-9-16)21-23-20-17(22)10-6-11-18(20)27-21/h3-6,8-13H,7,14-15H2,1-2H3/p+1/b13-12+