4-fluoranyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: 4-fluoranyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H23FN3O3S+ MolecularWeight: 416.489023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O3S/c1-27-17-6-7-19-18(14-17)23-21(29-19)25(9-8-24-10-12-28-13-11-24)20(26)15-2-4-16(22)5-3-15/h2-7,14H,8-13H2,1H3/p+1