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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3,4-dimethoxybenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3,4-dimethoxybenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-veratroyl-amino]ethyl-dimethyl-ammonium Formula: C20H23FN3O3S+ MolecularWeight: 404.478323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O3S/c1-23(2)10-11-24(20-22-18-14(21)6-5-7-17(18)28-20)19(25)13-8-9-15(26-3)16(12-13)27-4/h5-9,12H,10-11H2,1-4H3/p+1