N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-1,3-benzothiazole-6-carboxamide Formula: C20H21FN3O2S+ MolecularWeight: 386.463043

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC3=C(C=C2)N=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=CC3=C(C=C2)N=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN3O2S/c21-16-4-1-14(2-5-16)18(24-7-9-26-10-8-24)12-22-20(25)15-3-6-17-19(11-15)27-13-23-17/h1-6,11,13,18H,7-10,12H2,(H,22,25)/p+1/t18-/m0/s1