3-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-fluorophenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-fluorophenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-fluorobenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-[(2-fluorophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-fluorobenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-fluorobenzoyl)amino]propyl-dimethyl-ammonium Formula: C21H25FN3OS+ MolecularWeight: 386.506103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H24FN3OS/c1-4-15-10-11-18-19(14-15)27-21(23-18)25(13-7-12-24(2)3)20(26)16-8-5-6-9-17(16)22/h5-6,8-11,14H,4,7,12-13H2,1-3H3/p+1