3-[(3,5-dimethoxyphenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3,5-dimethoxyphenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3,5-dimethoxybenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3,5-dimethoxyphenyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3,5-dimethoxybenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(3,5-dimethoxybenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H25FN3O3S+ MolecularWeight: 418.504903

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)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O3S/c1-24(2)9-6-10-25(21-23-19-17(22)7-5-8-18(19)29-21)20(26)14-11-15(27-3)13-16(12-14)28-4/h5,7-8,11-13H,6,9-10H2,1-4H3/p+1