(E)-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-(2-thienyl)acrylamide Formula: C20H21FN3O2S2+ MolecularWeight: 418.528043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(C2=NC3=C(C=CC=C3S2)F)C(=O)C=CC4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1CCN(C2=NC3=C(C=CC=C3S2)F)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C20H20FN3O2S2/c21-16-4-1-5-17-19(16)22-20(28-17)24(9-8-23-10-12-26-13-11-23)18(25)7-6-15-3-2-14-27-15/h1-7,14H,8-13H2/p+1/b7-6+